SCHEMBL7694890

SCHEMBL7694890

O=CC(O)(C(=O)Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.39
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
KCNN4 O15554 3/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 3/20 0.35
HIF1A Q16665 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL15376730 0.83 CYP2C9 (0.47) CYP1A2CYP2C9MAPTKMT2AKCNN4
SCHEMBL2957871 0.78 CES1 (0.47) CYP1A2CYP2C9MAPTTSHRALDH1A1
SCHEMBL7535663 0.73 ALDH1A1 (0.50) MAPTKMT2AALDH1A1HDAC8POLB
SCHEMBL28069521 0.73 CYP1A2 (0.50) CYP1A2CYP2C9MAPTKMT2AKCNN4
SCHEMBL27548907 0.72 CES1 (0.42) CYP2C9MAPTKMT2ATSHRALDH1A1
SCHEMBL7539727 0.72 HPGD (0.47) MAPTKMT2ATSHRALDH1A1CYP2C19
SCHEMBL7195473 0.71 LMNA (0.39) CYP1A2CYP2C9KMT2AKCNN4TSHR
SCHEMBL28464151 0.70 CYP1A2 (0.52) CYP1A2MAPTKMT2AKCNN4TSHR
SCHEMBL976610 0.70 CYP1A2 (0.52) CYP1A2CYP2C9MAPTKMT2AKCNN4
SCHEMBL1332508 0.70 CYP2C9 (0.41) CYP1A2CYP2C9MAPTKMT2AKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354534-B Preparation method of D- (-) -formyl mandelic acid chloride 江西科苑生物股份有限公司 2025-09-05 CN disclosed
CN-113354534-B Preparation method of D- (-) -formyl mandelic acid chloride 江西科苑生物股份有限公司 2025-09-05 CN disclosed
CN-112694488-B Synthesis method of L-type cefamandole nafate 苏州盛达药业有限公司 2022-04-22 CN disclosed
WO-2002081469-A1 OXAZOLIDINONE-SULFOXIMINES AND -SULFILIMINES AS ANTIBIOTICS ASTRAZENECA AB (SE) 2002-10-17 WO disclosed
US-5625058-A ACYLATION, DEFORMYLATION AND EVAPORATION FARMABIOS S.R.1. (IT) 1997-04-29 US disclosed