SCHEMBL5569633

SCHEMBL5569633

O=CCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.49
LTA4H P09960 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
EPHX2 P34913 1/20 0.46
MAOB P27338 6/20 0.45
IDO1 P14902 2/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CACNA1B Q00975 1/20 0.41
NPBWR1 P48145 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL624798 0.88 TAAR1 (0.50) KMT2AMAOBIDO1TAAR1
SCHEMBL18003515 0.84 MAOB (0.66) MAOB
SCHEMBL2267819 0.82 KIF11 (0.55) MAOBIDO1CA1CA2TAAR1
SCHEMBL11083312 0.80 LTA4H (0.49) MAPK14LTA4HMAOBCA1CA2
SCHEMBL11148692 0.79 CA1 (0.52) MAPK14LTA4HMAOBIDO1CA1
SCHEMBL1685383 0.79 CA1 (0.52) MAPK14LTA4HMAOBIDO1CA1
SCHEMBL2464598 0.79 MAPK14 (0.42) MAPK14LTA4HKMT2AMEN1EPHX2
SCHEMBL5563797 0.79 LTA4H (0.47) MAPK14LTA4HKMT2AEPHX2MAOB
SCHEMBL29377645 0.77 LTA4H (0.50) MAPK14LTA4HMAOBIDO1CA1
SCHEMBL922221 0.77 MAOB (0.69) MAPK14LTA4HKMT2AMEN1MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173169-A4 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2007-04-04 EP disclosed
EP-1173169-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-23 EP disclosed
WO-2000057877-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-05 WO disclosed