SCHEMBL4378835

SCHEMBL4378835

CC(C=O)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.58
GABRB2 P47870 2/20 0.58
TSHR P16473 2/20 0.52
POLB P06746 2/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
LMNA P02545 4/20 0.38
CA2 P00918 3/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
BLM P54132 2/20 0.38
HIF1A Q16665 2/20 0.38
CA1 P00915 2/20 0.38
PTGS1 P23219 2/20 0.38
FAAH O00519 1/20 0.38
CYP1A2 P05177 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL28177274 0.83 ERN1 (0.45) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL933028 0.82 GABRA1 (0.50) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL15239771 0.82 TRPA1 (0.43) GABRA1GABRB2TSHRPOLBTRIM24
SCHEMBL9714495 0.81 GABRA1 (0.56) GABRA1GABRB2TSHRPOLBTRIM24
SCHEMBL28555953 0.80 HSPA5 (0.53) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL9717360 0.79 GABRA1 (0.40) GABRA1GABRB2TSHRLMNACA2
SCHEMBL10507496 0.78 GABRA1 (0.58) GABRA1GABRB2TSHRPOLBLMNA
Acetaldehyde SCHEMBL28918936 0.78 GABRA1 (0.78) GABRA1GABRB2TSHRPOLBTRIM24
SCHEMBL1332510 0.76 GABRA1 (0.48) GABRA1GABRB2TSHRPOLBTRIM24
SCHEMBL2550047 0.76 ESR1 (0.46) GABRA1GABRB2TSHRPOLBSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403022-B1 Encapsulating epoxy resin composition SHELL INT RESEARCH (NL) 1996-11-13 EP claimed
US-5149730-A Diglycidyl ether of 4,4*-dihydroxybiphenyl, trisphenolic curing agent, cure accelerator, inorganic filler SHELL OIL COMPANY (US) 1992-09-22 US claimed
CN-109641864-A ANTI-INFECTIVE AGENTS 邓迪大学 2019-04-16 CN disclosed
CN-104936453-B The soil additive of fermentation 液体化肥系统有限公司 2018-03-30 CN disclosed
CN-103857707-B For the photo-labile latex of perfume releasing FIRMENICH S.A. (CH) 2016-04-13 CN disclosed
CN-103459573-B Balanced dynamic mixtures for controlled release of perfuming aldehydes and ketones FIRMENICH S.A. (CH) 2015-11-25 CN disclosed
CN-104981452-A Skin whitening agent containing novel cyclic compound RNS CO LTD 2015-10-14 CN disclosed
CN-104936453-A Fermented soil additive LIQUID FERTILISER SYSTEMS PTY LTD 2015-09-23 CN disclosed
CN-103857707-A Photolabile latex for the release of perfumes FIRMENICH & CIE 2014-06-11 CN disclosed
CN-103459573-A Balanced dynamic mixtures for controlled release of perfuming aldehydes and ketones FIRMENICH & CIE 2013-12-18 CN disclosed
CN-101605765-B Controlled release of reactive aldehydes and ketones from an equilibrated dynamic mixture FIRMENICH & CIE 2012-06-06 CN disclosed
CN-1115334-C Pyridine derivative and medicine containing the same OTSUKA PHARMA CO LTD (JP) 2003-07-23 CN disclosed
CN-1294581-A Pyridine derivative and pharmaceutical contg. same OTSUKA PHARMA CO LTD (JP) 2001-05-09 CN disclosed
EP-0403022-B1 Encapsulating epoxy resin composition SHELL INT RESEARCH (NL) 1996-11-13 EP disclosed
US-5185388-A Polyglycidyl ether, curing agent and inorganic filler; integrated circuits BORDEN CHEMICAL FOUNDRY, LLC 1993-02-09 US disclosed
US-5149730-A Diglycidyl ether of 4,4*-dihydroxybiphenyl, trisphenolic curing agent, cure accelerator, inorganic filler SHELL OIL COMPANY (US) 1992-09-22 US disclosed
EP-0403022-A2 Encapsulating epoxy resin composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-12-19 EP disclosed
US-4755546-A Stabilized olefin polymers BORG-WARNER CHEMICALS, INC. (US) 1988-07-05 US disclosed
US-4507489-A ESTERIFICATION OF MONOACETAL OF 4-HYDROXYPHENYL-PROPIONALDEHYDE AND PENTAERYTHRITIOL; OLEFIN POLYMER STABILIZERS BORG-WARNER CHEMICALS, INC. (US) 1985-03-26 US disclosed
US-4501838-A WITH ESTER OF PENTAERYTHRITOL MONOACETATE BORG-WARNER CHEMICALS, INC. (US) 1985-02-26 US disclosed