SCHEMBL10483031

SCHEMBL10483031

C[C](CCc1ccc(CC(C)C)cc1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GLI1 P08151 3/20 0.45
▸ GLI2 P10070 3/20 0.45
▸ SRD5A2 P31213 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ CXCR1 P25024 2/20 0.43
▸ CXCR2 P25025 2/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PMP22 Q01453 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
SCHEMBL9854090 0.80 ATM (0.52) L3MBTL1ATMTDP1SRD5A2MAPT
SCHEMBL5018743 0.80 PTGS1 (0.55) L3MBTL1ATMSRD5A2PTGS1CXCR1
SCHEMBL6072390 0.78 ATM (0.57) L3MBTL1ATMTDP1SRD5A2MAPT
SCHEMBL10483032 0.74 PTGS1 (0.45) L3MBTL1ATMTDP1GLI1GLI2
Ketoprofen SCHEMBL20969451 0.74 PTGS1 (0.74) GLI1GLI2MAPTPTGS1CXCR1
Ketoprofen SCHEMBL572766 0.74 PTGS1 (0.74) GLI1GLI2MAPTPTGS1CXCR1
SCHEMBL664336 0.73 FFAR1 (0.61) PTGS1CXCR1CXCR2PTGS2ALDH1A1
SCHEMBL21064585 0.73 PTGS1 (0.57) PTGS1CXCR1CXCR2PTGS2SMN1; SMN2
SCHEMBL11138168 0.72 ALDH1A1 (0.71) L3MBTL1ATMSRD5A2SMN1; SMN2ALDH1A1
Acetophenone SCHEMBL22033274 0.72 LMNA (0.61) L3MBTL1MAPTPTGS1CXCR1CXCR2

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
JP-1203373-A — — None — — JP disclosed
JP-H01203373-A DERIVATIVE OF THIAZOLIDINE-4-CARBOXYLIC ACID HAVING PHARMACOLOGICAL ACTIVITY ZAMBON GROUP SPA 1989-08-16 — — JP disclosed
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