SCHEMBL20795015

SCHEMBL20795015

COCc1ccc(Cc2cccc(COC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
CA2 P00918 1/20 0.42
FFAR1 O14842 1/20 0.41
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
ERN1 O75460 1/20 0.40
IDH1 O75874 1/20 0.39
MAOB P27338 2/20 0.39
CALM1 P0DP23 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL26988586 0.89 MAOB (0.46) LTA4HFFAR1IDO1AGXTMAOB
SCHEMBL487468 0.87 IDO1 (0.48) FFAR1IDO1AGXTERN1MAOB
SCHEMBL11310162 0.84 ESR1 (0.48) LTA4HCA2IDO1AGXTERN1
SCHEMBL8020885 0.84 ESR1 (0.48) LTA4HCA2IDO1AGXTERN1
SCHEMBL12305 0.78 TP53 (0.44) FFAR1IDO1AGXTERN1MAOB
SCHEMBL30308942 0.78 AGXT (0.53) FFAR1IDO1AGXTERN1MAOB
SCHEMBL1338378 0.78 AGXT (0.53) FFAR1IDO1AGXTERN1MAOB
SCHEMBL18878186 0.78 HTR7 (0.50)
SCHEMBL19684429 0.77 TDP1 (0.50) LTA4HCA2IDO1AGXTMAOB
SCHEMBL2567350 0.77 MRGPRX4 (0.49) FFAR1IDO1AGXTERN1

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