SCHEMBL1708464

SCHEMBL1708464

Cc1cccc(C)c1-c1cccc(CNc2ccc3c(c2)OC[C@H]3C(C)C(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 9/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4C Q9H3R0 2/20 0.38
FFAR1 O14842 4/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
MAOA P21397 1/20 0.34
ALB P02768 1/20 0.34
MAOB P27338 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL1707906 0.90 FFAR1 (0.38) HAO1KDM4CFFAR1GAAMAPT
SCHEMBL10291217 0.83 CA12 (0.40) HAO1CA12CA1CA2CA9
SCHEMBL10010697 0.83 FFAR1 (0.53) FFAR1
SCHEMBL1707821 0.82 KDM4C (0.37) CA2KDM4CFFAR1GAAMAPT
SCHEMBL13047132 0.81 FFAR1 (0.46) HAO1CA12CA1CA2CA9
SCHEMBL1708367 0.79 ALDH1A1 (0.36) KDM4CFFAR1GAAMAPTRAB9A
SCHEMBL10291218 0.75 SMN1; SMN2 (0.41) HAO1KDM4CFFAR1GAAMAPT
SCHEMBL10291380 0.74 FFAR1 (0.40) HAO1KDM4CFFAR1GAAMAPT
SCHEMBL10009863 0.74 FFAR1 (0.53) FFAR1
SCHEMBL10009860 0.73 FFAR1 (0.54) 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