SCHEMBL7824324

SCHEMBL7824324

COc1ccc(C(CC(=O)O)NC(C)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.56
THRB P10828 1/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CTSA P10619 3/20 0.52
ACACB O00763 1/20 0.51
ITGB3 P05106 2/20 0.51
ITGA2B P08514 1/20 0.51
CYP26A1 O43174 1/20 0.50
GPR88 Q9GZN0 1/20 0.50
FFAR1 O14842 1/20 0.50
ITGAV P06756 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL8582402 0.84 GPR88 (0.63) KMT2AMEN1NPSR1ACACBGPR88
SCHEMBL7733340 0.84 FAAH (0.60) KMT2AMEN1NPSR1ACACBGPR88
SCHEMBL1823903 0.82 KMT2A (0.46) KMT2AMEN1ALDH1A1THRBHPGD
SCHEMBL15654637 0.82 CYP26A1 (0.58) ALDH1A1CTSACYP26A1SMN1; SMN2POLB
SCHEMBL3781378 0.82 KMT2A (0.47) KMT2AMEN1CYP26A1SMN1; SMN2
SCHEMBL3375103 0.82 KMT2A (0.58) KMT2AMEN1ALDH1A1CYP26A1SMN1; SMN2
SCHEMBL640977 0.82 KMT2A (0.58) KMT2AMEN1ALDH1A1CYP26A1SMN1; SMN2
SCHEMBL2851129 0.82 KMT2A (0.58) KMT2AMEN1ALDH1A1CYP26A1SMN1; SMN2
SCHEMBL7226978 0.81 NPSR1 (0.51) KMT2AMEN1ALDH1A1THRBHPGD
SCHEMBL1147823 0.81 NPSR1 (0.51) KMT2AMEN1ALDH1A1THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252393-B1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2014-04-30 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed