SCHEMBL29705642

SCHEMBL29705642

O=CCOc1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MAOB P27338 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
DAO P14920 1/20 0.40
CETP P11597 2/20 0.38
PPARG P37231 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
KIF11 P52732 1/20 0.38
CHRM5 P08912 1/20 0.38
FFAR1 O14842 1/20 0.38
MAPK14 Q16539 1/20 0.37

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
SCHEMBL23163670 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3MAOBPIM1
SCHEMBL19287158 0.83 CHRM2 (0.45) CHRM2CHRM1CHRM3MAOBPIM1
SCHEMBL514625 0.82 MAOB (0.47) MAOBPIM1PIM2MRGPRX4KIF11
SCHEMBL2091804 0.80 CETP (0.44) CHRM2CHRM1CHRM3MAOBDAO
SCHEMBL29705676 0.79 KDM4E (0.54) MAOBPPARGMRGPRX4
SCHEMBL584635 0.79 KDM4E (0.54) MAOBPPARGMRGPRX4
SCHEMBL3147185 0.79 GPR3 (0.50) CHRM2CHRM1CHRM3PIM1PIM2
SCHEMBL30349245 0.79 KDM4E (0.43) CHRM2CHRM1CHRM3MAOBCETP
SCHEMBL1035570 0.77 CHRM2 (0.58) CHRM2CHRM1CHRM3MAOBDAO
SCHEMBL2097583 0.77 CHRM5 (0.47) CHRM2CHRM1CHRM3MAOBDAO

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
CN-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 CN disclosed