SCHEMBL23712382

SCHEMBL23712382

CO/C=C(/C)Oc1cc(COc2cccc(C#N)c2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAOB P27338 3/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
SMPD1 P17405 1/20 0.40
GRM5 P41594 1/20 0.40
GPR34 Q9UPC5 1/20 0.40
HTR6 P50406 2/20 0.39
NR1H4 Q96RI1 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
SCHEMBL23712456 0.89 RAB9A (0.43) FFAR1FFAR4MAOBMRGPRX4SMPD1
SCHEMBL23712440 0.86 FFAR1 (0.44) FFAR1MAOB
SCHEMBL26418804 0.86 SMPD1 (0.43) FFAR1FFAR4MAOBMRGPRX4SMPD1
SCHEMBL26420028 0.81 SMPD1 (0.44) FFAR1FFAR4MAOBMRGPRX4SMPD1
SCHEMBL23712386 0.80 ATM (0.40) FFAR1FFAR4
SCHEMBL26418807 0.74 RAB9A (0.44) FFAR1FFAR4MAOBMRGPRX4SMPD1
SCHEMBL4029474 0.72 NPC1 (0.57) FFAR1FFAR4MAOBSMPD1GPR34
SCHEMBL23235763 0.72 MAOB (0.63) FFAR1FFAR4MAOBMRGPRX4GRM5
SCHEMBL26418764 0.71 FFAR1 (0.44) FFAR1FFAR4
SCHEMBL23712388 0.70 PKM (0.38)

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
WO-2021153782-A1 METHOD FOR CONTROLLING PHAKOPSORA PACHYRHIZI HAVING RESISTANCE AGAINST QoI FUNGICIDE 住友化学株式会社 2021-08-05 WO disclosed