SCHEMBL7700947

SCHEMBL7700947

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
XBP1 P17861 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
EPHX2 P34913 3/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DGAT1 O75907 5/20 0.45
PTGES O14684 4/20 0.45
NTRK1 P04629 2/20 0.43
DDX3X O00571 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.41
GAA P10253 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
SCHEMBL7693795 0.91 KDM4E (0.51) KDM4EALDH1A1CNR1CNR2EPHX2
SCHEMBL7695821 0.90 ECE1 (0.49) CNR1CNR2EPHX2RAB9ADGAT1
SCHEMBL7693811 0.89 NPC1 (0.50) KDM4EALDH1A1CNR1CNR2EPHX2
SCHEMBL7700054 0.89 NPC1 (0.50) KDM4EALDH1A1CNR1CNR2EPHX2
SCHEMBL7700202 0.89 EPHX2 (0.52) CNR1CNR2EPHX2MEN1NPC1
SCHEMBL7698708 0.89 CNR1 (0.49) CNR1CNR2EPHX2DGAT1PTGES
SCHEMBL7693513 0.88 DGAT1 (0.48) KDM4EALDH1A1CNR1CNR2EPHX2
SCHEMBL7700507 0.87 DGAT1 (0.47) KDM4EALDH1A1CNR1CNR2EPHX2
SCHEMBL7699225 0.87 PTGES (0.53) CNR1CNR2EPHX2DGAT1PTGES
SCHEMBL7700562 0.87 ALDH1A1 (0.49) KDM4EALDH1A1CNR1CNR2EPHX2

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