SCHEMBL7213716

SCHEMBL7213716

COC(=O)C(C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ATM Q13315 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
CTSB P07858 1/20 0.48
ALOX15 P16050 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KYNU Q16719 1/20 0.47
CTSK P43235 2/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL939536 0.93 ALDH1A1 (0.64) ALDH1A1L3MBTL1KMT2AMAPK1MAPT
SCHEMBL998563 0.85 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2AMAPK1MAPT
SCHEMBL2069896 0.85 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2AMAPK1MAPT
SCHEMBL939537 0.85 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2AMAPK1MAPT
SCHEMBL26779695 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2AMAPK1MAPT
SCHEMBL27364306 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
Ammonia Solution, Strong SCHEMBL27553566 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2AMAPK1MAPT
SCHEMBL4221847 0.84 ALDH1A1 (0.58) ALDH1A1L3MBTL1KMT2AMAPK1MAPT
SCHEMBL4221853 0.84 ALDH1A1 (0.58) ALDH1A1L3MBTL1KMT2AMAPK1MAPT
SCHEMBL2928989 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1KMT2AMAPK1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116635449-A Improved polyester compositions for extrusion blow molded containers 奥里格聚合物股份有限公司 2023-08-22 CN claimed
CN-1211374-C Heterocylic derivative, its preparation method and medicine composition containing them SEUVIR LABVORATORY (FR) 2005-07-20 CN claimed
CN-1396915-A Novel heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2003-02-12 CN claimed
CN-114149353-B N-alkyl/N-aryl thioamide derivatives, and synthetic method and application thereof 华东师范大学 2024-05-17 CN disclosed
CN-1211374-C Heterocylic derivative, its preparation method and medicine composition containing them SEUVIR LABVORATORY (FR) 2005-07-20 CN disclosed
US-6613934-B1 Enzymatic partial hydrolysis of a diester of malonic acid DEGUSSA AG (DE) 2003-09-02 US disclosed
CN-1396915-A Novel heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2003-02-12 CN disclosed
CN-1040318-C Synthesis of p-alkoxymethyl benzyl dihalochrysanthemate UNIV HUADONG (CN) 1998-10-21 CN disclosed
CN-1110271-A Synthesis of p-alkoxyl-methyl-benzyl dihalo-chrysanthemate UNIV HUADONG (CN) 1995-10-18 CN disclosed