SCHEMBL4736739

SCHEMBL4736739

CC(C)(Oc1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2F)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARA Q07869 4/20 0.38
TNFRSF1A P19438 1/20 0.38
PPARD Q03181 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CTSS P25774 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
SCHEMBL4736741 1.00 MAOB (0.45) MAOBLMNAMAPTGAAATM
SCHEMBL4737615 0.80 MAOB (0.44) MAOBLMNAMAPTGAAATM
SCHEMBL4737619 0.80 MAOB (0.44) MAOBLMNAMAPTGAAATM
SCHEMBL4787159 0.78 TNFRSF1A (0.55) MAOBTNFRSF1A
SCHEMBL4737608 0.78 TNFRSF1A (0.55) MAOBTNFRSF1A
SCHEMBL4736804 0.77 TNFRSF1A (0.46) MAOBTNFRSF1A
SCHEMBL4736808 0.77 TNFRSF1A (0.46) MAOBTNFRSF1A
SCHEMBL4736815 0.76 MRGPRX4 (0.35) PPARAPPARDCTSS
SCHEMBL4738535 0.75 PPARG (0.44) MAOBLMNAMAPTATMSMN1; SMN2
SCHEMBL4738538 0.75 PPARG (0.44) MAOBLMNAMAPTATMSMN1; SMN2

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
WO-2008087365-A2 SUBSTITUTED 1, 3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO claimed
WO-2008087365-A2 SUBSTITUTED 1, 3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed