SCHEMBL7700562

SCHEMBL7700562

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
DGAT1 O75907 4/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
EPHX2 P34913 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGES O14684 2/20 0.43
CASP3 P42574 1/20 0.42
PPARG P37231 1/20 0.42
NTRK1 P04629 1/20 0.41
CETP P11597 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.41

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
SCHEMBL7700054 0.91 NPC1 (0.50) ALDH1A1HPGDDGAT1CNR1CNR2
SCHEMBL7693811 0.91 NPC1 (0.50) ALDH1A1HPGDDGAT1CNR1CNR2
SCHEMBL7695821 0.89 ECE1 (0.49) HPGDDGAT1CNR1CNR2EPHX2
SCHEMBL7693513 0.89 DGAT1 (0.48) ALDH1A1HPGDDGAT1CNR1CNR2
SCHEMBL7693795 0.89 KDM4E (0.51) ALDH1A1DGAT1CNR1CNR2EPHX2
SCHEMBL7700507 0.88 DGAT1 (0.47) ALDH1A1HPGDDGAT1CNR1CNR2
SCHEMBL7696225 0.88 EPHX2 (0.45) ALDH1A1HPGDDGAT1CNR1CNR2
SCHEMBL7699624 0.87 DGAT1 (0.47) ALDH1A1HPGDDGAT1CNR1CNR2
SCHEMBL7702160 0.87 EPHX2 (0.44) DGAT1CNR1CNR2EPHX2HSD17B10
SCHEMBL7700947 0.87 KDM4E (0.47) ALDH1A1DGAT1CNR1CNR2EPHX2

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