SCHEMBL9794842

SCHEMBL9794842

CC(CC(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
ELANE P08246 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FFAR1 O14842 2/20 0.47
HPGD P15428 2/20 0.47
NPY5R Q15761 1/20 0.46
RAB9A P51151 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ESR1 P03372 1/20 0.45
HIF1A Q16665 1/20 0.45
BCHE P06276 1/20 0.44
POLB P06746 1/20 0.44
CYP19A1 P11511 1/20 0.44
NPC1 O15118 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27698503 0.92 ALDH1A1 (0.47) ALDH1A1LTB4RLTB4R2ELANEFFAR1
SCHEMBL28329593 0.92 ALDH1A1 (0.60) ALDH1A1LTB4RLTB4R2ELANEFFAR1
SCHEMBL6180016 0.90 ELANE (0.50) ALDH1A1LTB4RLTB4R2ELANEESR1
SCHEMBL11051585 0.84 NSD2 (0.50) ALDH1A1LTB4RLTB4R2ELANEATM
SCHEMBL4251422 0.83 CYP19A1 (0.51) ALDH1A1ELANEATML3MBTL1FFAR1
SCHEMBL666155 0.83 POLB (0.47) ALDH1A1ELANEATML3MBTL1HPGD
SCHEMBL1870721 0.81 LMNA (0.50) ALDH1A1ELANEATML3MBTL1RAB9A
SCHEMBL9909362 0.81 HPGD (0.56) ALDH1A1LTB4RLTB4R2FFAR1HPGD
SCHEMBL1894982 0.81 HPGD (0.56) ALDH1A1LTB4RLTB4R2FFAR1HPGD
SCHEMBL10481772 0.80 ELANE (0.45) ALDH1A1ELANEATML3MBTL1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN claimed
EP-0337489-A2 New derivatives of phenyl 3-phenylbutyrate, a method of obtaining new derivatives of phenyl 3-phenylbutyrate and the application of new derivatives of phenyl 3-phenylbutyrate for liquid crystalline mixtures UNIWERSYTET WARSZAWSKI (PL) 1989-10-18 EP claimed
CN-117417253-A Method for preparing phenyl alkyl acid ester by alkyl olefin 常州大学 2024-01-19 CN disclosed
CN-105431510-B Organic compounds 奇华顿股份有限公司 2020-02-11 CN disclosed
EP-2906671-B1 USE OF 2-HYDROXYPHENYL ARYL KETONES AS FRAGRANCE OR FLAVOR COMPONENTS GIVAUDAN SA (CH) 2017-12-06 EP disclosed
CN-105431510-A Organic compounds GIVAUDAN SA 2016-03-23 CN disclosed
EP-2906671-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2015-08-19 EP disclosed
CN-103458718-B Filter for cigarette and cigarette with filter JAPAN TOBACCO INC 2015-03-25 CN disclosed
CN-104203237-A Amidine-substituted beta-lactam compounds, their preparation and their use as antibacterial agents AICURIS GMBH & CO KG 2014-12-10 CN disclosed
US-8877704-B2 Organic compounds GIVAUDAN SA (CH) 2014-11-04 US disclosed
WO-2014060303-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-04-24 WO disclosed
CN-1188478-A Azacycloalcane derivatives, preparation thereof and their applications in therapy SYNTHELABO (FR) 1998-07-22 CN disclosed
CN-1110865-A Amino acid derivatives EISAI CO LTD (JP) 1995-10-25 CN disclosed
CN-1024012-C Novel cephalosporin derivatives and process for preparing same MEIJI SEIKA KAISHA (JP) 1994-03-16 CN disclosed
EP-0337489-A3 NEW DERIVATIVES OF PHENYL 3-PHENYLBUTYRATE, A METHOD OF OBTAINING NEW DERIVATIVES OF PHENYL 3-PHENYLBUTYRATE AND THE APPLICATION OF NEW DERIVATIVES OF PHENYL 3-PHENYLBUTYRATE FOR LIQUID CRYSTALLINE MIXTURES UNIWERSYTET WARSZAWSKI (PL) 1991-01-16 EP disclosed
EP-0337489-A3 NEW DERIVATIVES OF PHENYL 3-PHENYLBUTYRATE, A METHOD OF OBTAINING NEW DERIVATIVES OF PHENYL 3-PHENYLBUTYRATE AND THE APPLICATION OF NEW DERIVATIVES OF PHENYL 3-PHENYLBUTYRATE FOR LIQUID CRYSTALLINE MIXTURES UNIWERSYTET WARSZAWSKI (PL) 1991-01-16 EP disclosed
EP-0337489-A2 New derivatives of phenyl 3-phenylbutyrate, a method of obtaining new derivatives of phenyl 3-phenylbutyrate and the application of new derivatives of phenyl 3-phenylbutyrate for liquid crystalline mixtures UNIWERSYTET WARSZAWSKI (PL) 1989-10-18 EP disclosed
EP-0337489-A2 New derivatives of phenyl 3-phenylbutyrate, a method of obtaining new derivatives of phenyl 3-phenylbutyrate and the application of new derivatives of phenyl 3-phenylbutyrate for liquid crystalline mixtures UNIWERSYTET WARSZAWSKI (PL) 1989-10-18 EP disclosed
EP-0337489-A2 New derivatives of phenyl 3-phenylbutyrate, a method of obtaining new derivatives of phenyl 3-phenylbutyrate and the application of new derivatives of phenyl 3-phenylbutyrate for liquid crystalline mixtures UNIWERSYTET WARSZAWSKI (PL) 1989-10-18 EP disclosed
CN-86107949-A Novel cephalosporin derivatives and antibiotics containing the same 1987-08-05 CN disclosed