SCHEMBL4737596

SCHEMBL4737596

CC(C)(Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
ALOX5 P09917 1/20 0.46
CYP1B1 Q16678 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
MAOA P21397 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KRAS P01116 1/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
ATM Q13315 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOB P27338 2/20 0.41

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
SCHEMBL4737599 1.00 DPP4 (0.48) DPP4ALOX5CYP1B1ABCG2MAOA
SCHEMBL4739052 0.87 TNFRSF1A (0.54) DPP4CYP1B1ABCG2MAOALMNA
SCHEMBL4740485 0.87 TNFRSF1A (0.54) DPP4CYP1B1ABCG2MAOALMNA
SCHEMBL4737507 0.86 PPARG (0.57) ABCG2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL4787159 0.86 TNFRSF1A (0.55) DPP4CYP1B1MAOBTNFRSF1ACXCL12
SCHEMBL4737511 0.86 PPARG (0.57) ABCG2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL4737608 0.86 TNFRSF1A (0.55) DPP4CYP1B1MAOBTNFRSF1ACXCL12
SCHEMBL4741100 0.85 PPARG (0.46) ABCG2LMNAMAPTATMSMN1; SMN2
SCHEMBL4738535 0.85 PPARG (0.44) CYP1B1ABCG2LMNAMAPTATM
SCHEMBL4738538 0.85 PPARG (0.44) CYP1B1ABCG2LMNAMAPTATM

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