SCHEMBL10519643

SCHEMBL10519643

CC(=O)OSCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP2C19 P33261 1/20 0.44
IDO1 P14902 3/20 0.43
PTGS2 P35354 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL1722106 0.83 CYP2C19 (0.47) ALDH1A1CYP2C19IDO1LMNACES2
SCHEMBL5688937 0.83 CYP2C19 (0.47) ALDH1A1CYP2C19IDO1LMNACES2
SCHEMBL7212141 0.82 PTGS2 (0.53) ALDH1A1PTGS2LMNACES1TDP1
SCHEMBL2564415 0.82 KDM4E (0.42) ALDH1A1IDO1KDM4E
SCHEMBL21629342 0.82 DNM1 (0.47) ALDH1A1PTGS2LMNATDP1MAPK1
SCHEMBL331131 0.82 ALDH1A1 (0.42) ALDH1A1CYP2C19IDO1PTGS2LMNA
SCHEMBL21629327 0.81 CETP (0.41) ALDH1A1PTGS2TDP1TSHR
SCHEMBL22207429 0.81 ALDH1A1 (0.48) ALDH1A1CYP2C19IDO1PTGS2LMNA
Acetic Acid Methyl Ester SCHEMBL28504359 0.81 ALDH1A1 (0.48) ALDH1A1CYP2C19PTGS2LMNAGAA
SCHEMBL45252 0.81 RAB9A (0.47) ALDH1A1CYP2C19IDO1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115836100-A Polymerizable composition, cured product, and method for producing cured product 株式会社艾迪科 2023-03-21 CN disclosed
CN-114306634-A Compounds comprising a cleavable linker and uses thereof 尹图赛利有限公司 2022-04-12 CN disclosed
CN-114306635-A Compounds comprising a cleavable linker and uses thereof 尹图赛利有限公司 2022-04-12 CN disclosed
CN-113929707-A Fused heterocyclic benzodiazepine derivatives and uses thereof 尹图赛利有限公司 2022-01-14 CN disclosed
CN-113444111-A Novel benzodiazepine derivative and use thereof 尹图赛利有限公司 2021-09-28 CN disclosed
CN-113453726-A Compounds comprising a cleavable linker and uses thereof 尹图赛利有限公司 2021-09-28 CN disclosed
CN-113423431-A Compounds comprising a cleavable linker and uses thereof 尹图赛利有限公司 2021-09-21 CN disclosed
CN-112930350-A Fused heterocyclic benzodiazepine derivatives and uses thereof 尹图赛利有限公司 2021-06-08 CN disclosed
CN-112166115-A Novel benzodiazepine derivatives and uses thereof 尹图赛利有限公司 2021-01-01 CN disclosed
CN-111278845-A Compounds comprising a cleavable linker and uses thereof 尹图赛利有限公司 2020-06-12 CN disclosed
CN-104169278-B The iso thiazolinium compound of controlling invertebrate pests 巴斯夫欧洲公司 2017-10-24 CN disclosed
CN-104662137-B Lubricant compositions comprising acyclic hindered amines 巴斯夫欧洲公司 2017-09-29 CN disclosed
CN-107109278-A For the sulphonic acid ester for the fluoropolymer seal part compatibility for improving lubricant compositions 巴斯夫欧洲公司 2017-08-29 CN disclosed
CN-107109279-A Allcoxylated amides, ester and antiwear additive in lubricant compositions 巴斯夫欧洲公司 2017-08-29 CN disclosed
EP-3013807-A1 NAPHTHYL- OR ISOQUINOLINYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS Merial, Inc. (US) 2016-05-04 EP disclosed
EP-3013822-A1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES Merial, Inc. (US) 2016-05-04 EP disclosed
WO-2014206909-A1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES BASF SE (DE) 2014-12-31 WO disclosed
WO-2014206907-A1 NAPHTHYL- OR ISOQUINOLINYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2014-12-31 WO disclosed
CN-1058781-A New heterocyclic anthracycline hydrocarbon homologue IAF BIOCHEM INT (CA) 1992-02-19 CN disclosed
EP-0310484-A1 Derivatives of alkadienes, their preparations, medicinal compositions containing them, and intermediates RHONE-POULENC SANTE (FR) 1989-04-05 EP disclosed