SCHEMBL7702160

SCHEMBL7702160

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
DGAT1 O75907 5/20 0.42
SMO Q99835 1/20 0.42
PTGES O14684 2/20 0.42
CETP P11597 3/20 0.42
HSD17B13 Q7Z5P4 1/20 0.41
NTRK1 P04629 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 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
SCHEMBL7693513 0.93 DGAT1 (0.48) EPHX2CNR1CNR2DGAT1PTGES
SCHEMBL7701069 0.91 POLB (0.48) EPHX2CNR1CNR2DGAT1PTGES
SCHEMBL7699624 0.90 DGAT1 (0.47) EPHX2CNR1CNR2DGAT1PTGES
SCHEMBL7700054 0.90 NPC1 (0.50) EPHX2CNR1CNR2DGAT1PTGES
SCHEMBL7696432 0.89 CNR1 (0.43) EPHX2CNR1CNR2DGAT1PTGES
SCHEMBL7701312 0.89 CDC25A (0.46) EPHX2CNR1CNR2DGAT1PTGES
SCHEMBL7696225 0.89 EPHX2 (0.45) EPHX2CNR1CNR2DGAT1SMO
SCHEMBL7695821 0.88 ECE1 (0.49) EPHX2CNR1CNR2DGAT1SMO
SCHEMBL7698147 0.88 NCOA1 (0.42) EPHX2CNR1CNR2DGAT1PTGES
SCHEMBL7700202 0.88 EPHX2 (0.52) EPHX2CNR1CNR2DGAT1SMO

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