SCHEMBL727901

SCHEMBL727901

[CH2]C(C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.56
CYP2D6 P10635 1/20 0.56
LMNA P02545 3/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 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
SCHEMBL3970608 0.80 SRC (0.50) SRCCYP2D6LMNACYP2C19CES2
SCHEMBL1829026 0.80 EPHX1 (0.48) SRCCYP2D6LMNAMAPK1CYP2C19
SCHEMBL3470624 0.80 HPGD (0.50) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL4838973 0.80 EPHX1 (0.48) SRCCYP2D6LMNAMAPK1CYP2C19
SCHEMBL27844109 0.78 HDAC3 (0.45) LMNACES2CES1HPGDHDAC3
SCHEMBL6838801 0.78 TDP1 (0.61) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL10872470 0.77 KMT2A (0.45) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL1515205 0.77 SMN1; SMN2 (0.53) LMNACYP2C19L3MBTL1HPGD
SCHEMBL26981015 0.75 CYP2D6 (0.73) SRCCYP2D6LMNAMAPK1CYP2C19
SCHEMBL10871838 0.75 HSP90AA1 (0.44) SRCCYP2D6LMNAMAPK1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109963922-B Aldehyde scavenger and method for removing aldehyde 东曹株式会社 2022-09-23 CN claimed
US-20200061225-A1 ALDEHYDE SCAVENGER AND METHOD FOR REMOVING ALDEHYDES TOSOH CORPORATION (JP) 2020-02-27 US claimed
EP-3564334-A1 ALDEHYDE SCAVENGER AND ALDEHYDE REMOVAL METHOD Tosoh Corporation (JP) 2019-11-06 EP claimed
EP-2350031-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA Ensemble Therapeutics Corporation (US) 2011-08-03 EP claimed
JP-4689938-B2 2011-06-01 JP claimed
WO-2010022249-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE DISCOVERY CORPORATION (US) 2010-02-25 WO claimed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
JP-2004517047-A 2004-06-10 JP claimed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 WO claimed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO claimed
EP-1320540-A2 PEPTIDOMIMETIC PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-06-25 EP claimed
WO-2002018369-A2 PEPTIDOMIMETIC PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-03-07 WO claimed
EP-0766665-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-07-28 EP claimed
US-4818749-A Carboxyalkyl dipeptides and medical use thereof in treating hypertension and congestive heart failure SCHERING CORPORATION (US) 1989-04-04 US claimed
US-4025622-A ANTIBACTERIAL Ogura, Haruo (JA) 1977-05-24 US claimed
EP-4328276-A1 ANTIFOULING COATING COMPOSITION Nitto Kasei Co., Ltd. (JP) 2024-02-28 EP disclosed
EP-4328275-A1 ANTI-FOULING COATING MATERIAL COMPOSITION Nitto Kasei Co., Ltd. (JP) 2024-02-28 EP disclosed
CN-1055361-A Substituted pyrroles, process for their preparation, preparations containing them and their use HOECHST AG (DE) 1991-10-16 CN disclosed
US-4808573-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS SCHERING CORPORATION (US) 1989-02-28 US disclosed
US-4110355-A COLOR COUPLERS POLAROID CORPORATION (US) 1978-08-29 US disclosed