SCHEMBL5838308

SCHEMBL5838308

Cc1cc(C)cc(COc2c(OCc3ccccc3Cl)cccc2C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.63
FABP5 Q01469 5/20 0.63
FABP3 P05413 2/20 0.63
TP53 P04637 3/20 0.55
HTT P42858 1/20 0.55
MRGPRX4 Q96LA9 5/20 0.51
NPC1 O15118 3/20 0.51
MCL1 Q07820 1/20 0.50
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
RAB9A P51151 2/20 0.46
NR4A2 P43354 1/20 0.46
MEN1 O00255 1/20 0.46
MITF O75030 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL5839103 0.92 FABP4 (0.61) FABP4FABP5FABP3TP53HTT
SCHEMBL5663261 0.88 FABP4 (0.74) FABP4FABP5FABP3TP53HTT
SCHEMBL5840313 0.84 FABP4 (0.65) FABP4FABP5FABP3TP53HTT
SCHEMBL5839628 0.83 FABP4 (0.61) FABP4FABP5FABP3TP53HTT
SCHEMBL5838836 0.83 FABP4 (0.61) FABP4FABP5FABP3TP53HTT
SCHEMBL5840237 0.81 FABP4 (0.58) FABP4FABP5FABP3TP53HTT
SCHEMBL5662630 0.81 TP53 (0.74) FABP4FABP5FABP3TP53HTT
SCHEMBL5840021 0.80 FABP4 (0.62) FABP4FABP5FABP3TP53HTT
SCHEMBL5663405 0.80 FABP4 (0.88) FABP4FABP5FABP3TP53HTT
SCHEMBL5839914 0.80 FABP4 (0.88) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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