SCHEMBL7700507

SCHEMBL7700507

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
EPHX2 P34913 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
PTGES O14684 3/20 0.43
HSD17B13 Q7Z5P4 1/20 0.42
PPARG P37231 1/20 0.42
NTRK1 P04629 2/20 0.41
DDX3X O00571 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SMO Q99835 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7693811 0.94 NPC1 (0.50) DGAT1CNR1CNR2EPHX2NPC1
SCHEMBL7693795 0.89 KDM4E (0.51) DGAT1CNR1CNR2EPHX2NPC1
SCHEMBL7700562 0.88 ALDH1A1 (0.49) DGAT1CNR1CNR2EPHX2NPC1
SCHEMBL7700947 0.87 KDM4E (0.47) DGAT1CNR1CNR2EPHX2NPC1
SCHEMBL7700054 0.87 NPC1 (0.50) DGAT1CNR1CNR2EPHX2NPC1
SCHEMBL7700202 0.87 EPHX2 (0.52) DGAT1CNR1CNR2EPHX2NPC1
SCHEMBL7698708 0.87 CNR1 (0.49) DGAT1CNR1CNR2EPHX2PTGES
SCHEMBL7695821 0.85 ECE1 (0.49) DGAT1CNR1CNR2EPHX2RAB9A
SCHEMBL7693513 0.85 DGAT1 (0.48) DGAT1CNR1CNR2EPHX2NPC1
SCHEMBL7702160 0.85 EPHX2 (0.44) DGAT1CNR1CNR2EPHX2NPC1

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