SCHEMBL7696332

SCHEMBL7696332

O=C(Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)NCc2ccccc2C(F)(F)F)cc1)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
SMO Q99835 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EPHX2 P34913 1/20 0.44
DGAT1 O75907 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL7699225 0.91 PTGES (0.53) PTGESSMOEPHX2DGAT1CNR1
SCHEMBL7700202 0.89 EPHX2 (0.52) PTGESRAB9ANPC1SMOHSD17B10
SCHEMBL7698148 0.88 PTGES (0.49) PTGESMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL7701384 0.88 EPHX2 (0.51) PTGESMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7693795 0.88 KDM4E (0.51) PTGESKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL7699195 0.86 HPGD (0.50) PTGESMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL7699756 0.86 EPHX2 (0.48) PTGESMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7693811 0.86 NPC1 (0.50) PTGESKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL7700054 0.86 NPC1 (0.50) PTGESMAPTKDM4ERAB9ANPC1
SCHEMBL7700947 0.86 KDM4E (0.47) PTGESKDM4ERAB9ANPC1ALDH1A1

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