SCHEMBL6691691

SCHEMBL6691691

Cc1cc(C(=O)O)c2[nH]c3c(c2c1)CCCC3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.61
MAPT P10636 7/20 0.53
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 2/20 0.53
IKBKB O14920 1/20 0.53
USP2 O75604 1/20 0.53
MAPK10 P53779 1/20 0.53
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KDM4E B2RXH2 5/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PARP14 Q460N5 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL6688877 0.85 MAPT (0.50) GFERMAPTALDH1A1HSD17B10MEN1
SCHEMBL11742170 0.82 GFER (0.61) GFERMAPTALDH1A1HSD17B10MEN1
SCHEMBL30159848 0.79 GFER (0.57) GFERMAPTALDH1A1HSD17B10MEN1
SCHEMBL30317424 0.76 GFER (1.00) GFERMAPTALDH1A1HSD17B10MEN1
SCHEMBL3941869 0.76 GFER (1.00) GFERMAPTALDH1A1HSD17B10MEN1
SCHEMBL6683286 0.75 GFER (0.97) GFERMAPTALDH1A1HSD17B10MEN1
SCHEMBL4972251 0.73 GFER (0.94) GFERMAPTALDH1A1HSD17B10MEN1
SCHEMBL11742569 0.72 GFER (0.58) GFERMAPTALDH1A1HSD17B10MEN1
SCHEMBL4725291 0.71 GFER (0.50) GFERMAPTALDH1A1HSD17B10MEN1
SCHEMBL14635033 0.70 GFER (0.81) GFERMAPTALDH1A1HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO claimed
US-4057640-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1977-11-08 US claimed
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO disclosed
US-4057640-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed
US-3956295-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed