SCHEMBL1708208

SCHEMBL1708208

CC(=O)O[C@H]1c2ccc(NCc3cccc(-c4cc(C)sc4C)c3F)cc2OC1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.32
POLB P06746 1/20 0.32
INSR P06213 1/20 0.32
IGF1R P08069 1/20 0.32
S1PR4 O95977 2/20 0.30
S1PR5 Q9H228 2/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
FFAR1 O14842 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL1707949 0.91 PDCD1 (0.36) HAO1POLBINSRIGF1RPDCD1
SCHEMBL1707964 0.84 INSR (0.36) HAO1INSRIGF1RS1PR4S1PR5
SCHEMBL1707867 0.77 ALDH1A1 (0.40) HAO1POLBINSRIGF1RPDCD1
SCHEMBL1708332 0.77 ALDH1A1 (0.32) HAO1POLBINSRIGF1RPDCD1
SCHEMBL1708437 0.77 PDCD1 (0.33) HAO1PDCD1CD274
SCHEMBL1708634 0.76 TP53 (0.35)
SCHEMBL10291784 0.76 FFAR1 (0.39) FFAR1
SCHEMBL1707963 0.75 FFAR1 (0.45) FFAR1
SCHEMBL1707908 0.75 CD274 (0.41) PDCD1CD274
SCHEMBL1708101 0.73 RORC (0.33) PDCD1CD274

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 2 patents. 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
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed