SCHEMBL5663261

SCHEMBL5663261

O=C(O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.74
FABP5 Q01469 5/20 0.74
FABP3 P05413 2/20 0.74
TP53 P04637 1/20 0.69
HTT P42858 1/20 0.69
MCL1 Q07820 1/20 0.57
MRGPRX4 Q96LA9 6/20 0.56
NR4A2 P43354 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
FOLH1 Q04609 1/20 0.50
SGMS2 Q8NHU3 1/20 0.49
CLCN2 P51788 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 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
SCHEMBL5840313 0.92 FABP4 (0.65) FABP4FABP5FABP3TP53HTT
SCHEMBL5662630 0.92 TP53 (0.74) FABP4FABP5FABP3TP53HTT
SCHEMBL5840021 0.90 FABP4 (0.62) FABP4FABP5FABP3TP53HTT
SCHEMBL5838836 0.89 FABP4 (0.61) FABP4FABP5FABP3TP53HTT
SCHEMBL5662912 0.89 FABP4 (0.67) FABP4FABP5FABP3TP53HTT
SCHEMBL5838308 0.88 FABP4 (0.63) FABP4FABP5FABP3TP53HTT
SCHEMBL1388155 0.88 HTT (0.77) FABP4FABP5FABP3TP53HTT
SCHEMBL5839811 0.87 FABP4 (0.58) FABP4FABP5FABP3TP53HTT
SCHEMBL5839668 0.87 FABP4 (0.58) FABP4FABP5FABP3TP53HTT
SCHEMBL5839103 0.87 FABP4 (0.61) FABP4FABP5FABP3TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443919-A4 DUAL INHIBITORS OF ADIPOCYTE FATTY ACID BINDING PROTEIN AND KERATINOCYTE FATTY ACID BINDING PROTEIN BRISTOL MYERS SQUIBB CO (US) 2006-03-22 EP disclosed
US-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 US disclosed
EP-1443919-A1 DUAL INHIBITORS OF ADIPOCYTE FATTY ACID BINDING PROTEIN AND KERATINOCYTE FATTY ACID BINDING PROTEIN Bristol-Myers Squibb Company (US) 2004-08-11 EP disclosed
WO-2003043624-A1 DUAL INHIBITORS OF ADIPOCYTE FATTY ACID BINDING PROTEIN AND KERATINOCYTE FATTY ACID BINDING PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-30 WO disclosed