SCHEMBL1707906

SCHEMBL1707906

Cc1cccc(C)c1-c1cccc(CNc2ccc3c(c2)OC[C@H]3C(C)C(=O)O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.38
KDM4C Q9H3R0 1/20 0.35
HAO1 Q9UJM8 2/20 0.35
GAA P10253 3/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CD274 Q9NZQ7 1/20 0.33
GCGR P47871 1/20 0.33
P2RX7 Q99572 1/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1708464 0.90 HAO1 (0.39) FFAR1KDM4CHAO1GAACD274
SCHEMBL10291380 0.85 FFAR1 (0.40) FFAR1KDM4CHAO1GAATP53
SCHEMBL10009863 0.84 FFAR1 (0.53) FFAR1
SCHEMBL10291216 0.83 FFAR1 (0.39) FFAR1KDM4CHAO1GAATP53
SCHEMBL13046441 0.83 FFAR1 (0.46) FFAR1
SCHEMBL1707821 0.81 KDM4C (0.37) FFAR1KDM4CGAATDP1CD274
SCHEMBL1708367 0.79 ALDH1A1 (0.36) FFAR1KDM4CGAATDP1CD274
SCHEMBL10010697 0.75 FFAR1 (0.53) FFAR1
SCHEMBL10009860 0.74 FFAR1 (0.54) FFAR1
SCHEMBL10010108 0.74 FFAR1 (0.51) FFAR1

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
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed