SCHEMBL7700202

SCHEMBL7700202

O=C(Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)NCc2ccccc2C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.52
TRPV1 Q8NER1 1/20 0.48
DGAT1 O75907 5/20 0.46
PTGES O14684 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
PPARG P37231 2/20 0.43
SMO Q99835 1/20 0.42
NTRK1 P04629 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL7699756 0.95 EPHX2 (0.48) EPHX2TRPV1DGAT1PTGESCNR1
SCHEMBL7701384 0.95 EPHX2 (0.51) EPHX2TRPV1DGAT1PTGESCNR1
SCHEMBL7700128 0.92 EPHX2 (0.49) EPHX2DGAT1PTGESCNR1CNR2
SCHEMBL7701962 0.92 TAOK1 (0.54) EPHX2DGAT1PTGESCNR1CNR2
SCHEMBL7703699 0.92 ALDH1A1 (0.51) EPHX2TRPV1DGAT1PTGESCNR1
SCHEMBL7701450 0.92 EPHX2 (0.48) EPHX2DGAT1PTGESCNR1CNR2
SCHEMBL7696456 0.92 MAPT (0.51) EPHX2DGAT1RAB9AMEN1TP53
SCHEMBL7693795 0.91 KDM4E (0.51) EPHX2DGAT1PTGESCNR1CNR2
SCHEMBL7693770 0.90 TSHR (0.50) EPHX2NPC1RAB9AMEN1TP53
SCHEMBL7696332 0.89 PTGES (0.49) EPHX2DGAT1PTGESCNR1CNR2

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed