SCHEMBL31364601

SCHEMBL31364601

COc1ccc2cc(C(C)=O)ccc2c1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 1/20 0.54
CA9 Q16790 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
CYP2A6 P11509 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CREBBP Q92793 1/20 0.43
NCEH1 Q6PIU2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL28755555 0.85 ALDH1A1 (0.56) ALDH1A1HPGDMAPTCA9KMT2A
SCHEMBL15917514 0.84 MTNR1A (0.50) MAPTCA9KMT2ACYP1A2CYP3A4
SCHEMBL11809956 0.83 ALDH1A1 (0.53) ALDH1A1HPGDMAPTCA9KMT2A
SCHEMBL11078616 0.83 ALDH1A1 (0.53) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL7736295 0.83 NCEH1 (0.53) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL4049195 0.83 POLB (0.56) ALDH1A1MAPTCA9KMT2AMEN1
SCHEMBL30067115 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL9747321 0.79 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL10282867 0.79 ALDH1A1 (0.60) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL31364598 0.78 HPGD (0.59) ALDH1A1HPGDMAPTCA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119470678-A Method for separating and measuring key intermediate and related impurities of non-steroidal anti-inflammatory drug by HPLC (high Performance liquid chromatography) 上海博悦生物科技有限公司 2025-02-18 CN claimed
CN-119470678-A Method for separating and measuring key intermediate and related impurities of non-steroidal anti-inflammatory drug by HPLC (high Performance liquid chromatography) 上海博悦生物科技有限公司 2025-02-18 CN disclosed