SCHEMBL7825762

SCHEMBL7825762

Cc1ccc(OCC(=O)Nc2ccc(C(=O)O)cc2)cc1C

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.81
MEN1 O00255 6/20 0.81
POLB P06746 1/20 0.81
HPGD P15428 2/20 0.74
ALDH1A1 P00352 3/20 0.70
KDM4E B2RXH2 3/20 0.70
HSD17B10 Q99714 1/20 0.70
LMNA P02545 1/20 0.66
MAPT P10636 5/20 0.65
USP2 O75604 1/20 0.65
ALOX15 P16050 1/20 0.65
NR4A1 P22736 1/20 0.65
MAPK1 P28482 1/20 0.65
MCL1 Q07820 1/20 0.65
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
GAA P10253 1/20 0.61
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL2947496 0.86 MEN1 (0.79) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL740618 0.84 HPGD (0.74) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL14119591 0.82 ALDH1A1 (1.00) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL5422115 0.82 MAPT (0.74) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL28584650 0.79 MEN1 (0.73) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL13856491 0.79 MAPT (1.00) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL4295568 0.78 HIF1A (0.73) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL108275 0.77 HPGD (0.64) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL1734842 0.77 NOTUM (0.81) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL5698772 0.76 MEN1 (0.67) KMT2AMEN1HPGDALDH1A1KDM4E

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
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