SCHEMBL3886296

SCHEMBL3886296

CC(C)(C)c1ccc(C2CNC(=O)N2c2ccc(CO)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
QPCT Q16769 11/20 0.39
QPCTL Q9NXS2 1/20 0.39
NAAA Q02083 1/20 0.38
ACACB O00763 1/20 0.37
ABCB1 P08183 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RIPK1 Q13546 1/20 0.36
PTGER2 P43116 2/20 0.36
PTGER3 P43115 1/20 0.36
PTGDR Q13258 1/20 0.36

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
SCHEMBL3884188 0.86 QPCT (0.35) QPCTQPCTLALDH1A1
SCHEMBL3879388 0.82 EPHX2 (0.39) EPHX2NAAAACACBALDH1A1PTGER2
SCHEMBL4037907 0.76 QPCT (0.43) QPCT
SCHEMBL8573927 0.74 RXRA (0.36) EPHX2QPCTQPCTLPTGER2PTGER3
SCHEMBL8575601 0.74 HRH3 (0.36) EPHX2QPCTQPCTLPTGER2
SCHEMBL3550353 0.70 DRD2 (0.50) EPHX2
SCHEMBL113722 0.69 EPHX2 (0.61) EPHX2
SCHEMBL8576418 0.68 FFAR1 (0.38) EPHX2QPCTQPCTL
SCHEMBL8571822 0.68 PPARD (0.38) QPCTQPCTL
SCHEMBL8572786 0.68 QPCT (0.38) QPCTQPCTLALDH1A1

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
EP-2010524-A2 S1P RECEPTOR MODULATING COMPOUNDS Epix Delaware, Inc. (US) 2009-01-07 EP disclosed
WO-2007109330-A2 S1P RECEPTOR MODULATING COMPOUNDS EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed