SCHEMBL9903269

SCHEMBL9903269

CC/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.56
PPARG P37231 1/20 0.56
PSEN1 P49768 1/20 0.56
PSEN2 P49810 1/20 0.56
APH1B Q8WW43 1/20 0.56
NCSTN Q92542 1/20 0.56
APH1A Q96BI3 1/20 0.56
PSENEN Q9NZ42 1/20 0.56
PTGS1 P23219 3/20 0.50
AKR1C3 P42330 1/20 0.49
TBXAS1 P24557 2/20 0.48
DPEP1 P16444 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS2 P35354 2/20 0.44
NQO2 P16083 1/20 0.44
HDAC3 O15379 1/20 0.42
ADAM17 P78536 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 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
SCHEMBL9903274 1.00 EPHX2 (0.56) EPHX2PPARGPSEN1PSEN2APH1B
SCHEMBL16969112 0.87 AKR1C3 (0.47) EPHX2PPARGPSEN1PSEN2APH1B
SCHEMBL5173409 0.86 TBXAS1 (0.58) EPHX2PPARGAKR1C3TBXAS1
SCHEMBL3995073 0.85 TRPV1 (0.50) EPHX2PPARGPSEN1PSEN2APH1B
SCHEMBL3995067 0.85 TRPV1 (0.50) EPHX2PPARGPSEN1PSEN2APH1B
SCHEMBL8865367 0.83 PTPN1 (0.50) EPHX2PPARGPSEN1PSEN2APH1B
SCHEMBL8865356 0.83 PTPN1 (0.50) EPHX2PPARGPSEN1PSEN2APH1B
SCHEMBL5094454 0.81 EPHX2 (0.55) EPHX2PPARGPSEN1PSEN2APH1B
SCHEMBL5094449 0.81 EPHX2 (0.55) EPHX2PPARGPSEN1PSEN2APH1B
SCHEMBL4662669 0.81 MEN1 (0.51) EPHX2PPARGAKR1C3TBXAS1DPEP1

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
EP-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP disclosed