SCHEMBL4737415

SCHEMBL4737415

CC(C)(Oc1ccc(C=CC(=O)c2ccc(Br)cc2)c(F)c1F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
TNFRSF1A P19438 3/20 0.43
DPP4 P27487 2/20 0.43
CYP1B1 Q16678 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KRAS P01116 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PAX8 Q06710 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4737414 1.00 ALOX5 (0.46) ALOX5TNFRSF1ADPP4CYP1B1ABCG2
SCHEMBL4740257 0.86 PPARG (0.44) TNFRSF1ACYP1B1ABCG2MAOBLMNA
SCHEMBL4787472 0.86 PPARG (0.44) TNFRSF1ACYP1B1ABCG2MAOBLMNA
SCHEMBL4737596 0.84 DPP4 (0.48) ALOX5TNFRSF1ADPP4CYP1B1ABCG2
SCHEMBL4737599 0.84 DPP4 (0.48) ALOX5TNFRSF1ADPP4CYP1B1ABCG2
SCHEMBL25203939 0.77 CXCL12 (0.52) TNFRSF1ACYP1B1ABCG2MAOAMAOB
SCHEMBL13764683 0.77 CXCL12 (0.52) TNFRSF1ACYP1B1ABCG2MAOAMAOB
SCHEMBL30384453 0.77 CXCL12 (0.52) TNFRSF1ACYP1B1ABCG2MAOAMAOB
SCHEMBL13764682 0.77 CXCL12 (0.54) TNFRSF1ACYP1B1ABCG2MAOAMAOB
SCHEMBL25211769 0.77 CXCL12 (0.54) TNFRSF1ACYP1B1ABCG2MAOAMAOB

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