SCHEMBL20795339

SCHEMBL20795339

COCc1cccc(Sc2cccc(COC)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
HTR6 P50406 1/20 0.47
IDO1 P14902 4/20 0.40
AGXT P21549 2/20 0.40
HPGD P15428 1/20 0.38
FFAR1 O14842 1/20 0.38
MIF P14174 1/20 0.38
ERN1 O75460 1/20 0.37
POLB P06746 1/20 0.37
MAOB P27338 2/20 0.36
SLC6A4 P31645 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL4800888 0.86 SLC6A4 (0.43) IDO1AGXTSLC6A4
SCHEMBL487468 0.82 IDO1 (0.48) IDO1AGXTFFAR1ERN1MAOB
SCHEMBL514222 0.80 CETP (0.44) IDO1AGXT
SCHEMBL1786072 0.76 HTR2C (0.52) HTR2CHTR6IDO1HPGDPOLB
SCHEMBL29644212 0.76 AGXT (0.55) IDO1AGXTERN1
SCHEMBL1338691 0.76 AGXT (0.55) IDO1AGXTERN1
SCHEMBL27800866 0.75 SLC6A4 (0.52) HTR2CHTR6IDO1AGXTHPGD
SCHEMBL12305 0.74 TP53 (0.44) IDO1AGXTFFAR1ERN1MAOB
SCHEMBL30253988 0.74 IDO1 (0.67) IDO1POLBMAOB
SCHEMBL3150055 0.74 ENPP2 (0.56) ERN1

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
US-20190148756-A1 METHOD FOR PRODUCING POLYMER ELECTROLYTE MOLDED ARTICLE, POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE MEMBRANE, AND POLYMER ELECTROLYTE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2019-05-16 US disclosed
US-10224562-B2 Method for producing polymer electrolyte molded article, polymer electrolyte material, polymer electrolyte membrane, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2019-03-05 US disclosed