SCHEMBL7700939

SCHEMBL7700939

O=C(NCc1ccccc1C(F)(F)F)c1nc(-c2ccccc2)oc1-c1ccc(NC(=O)C2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 8/20 0.43
CYP2C9 P11712 4/20 0.43
PTGES O14684 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
DGAT1 O75907 3/20 0.41
PTPN1 P18031 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL7699158 0.96 EPHX2 (0.45) EPHX2CYP2C9PTGESCNR1CNR2
SCHEMBL7698147 0.87 NCOA1 (0.42) EPHX2PTGESCNR1CNR2DGAT1
SCHEMBL7700202 0.85 EPHX2 (0.52) HSD17B10EPHX2PTGESCNR1CNR2
SCHEMBL7693795 0.85 KDM4E (0.51) POLBSMN1; SMN2HSD17B10EPHX2PTGES
SCHEMBL7700054 0.84 NPC1 (0.50) HPGDEPHX2PTGESCNR1CNR2
SCHEMBL7693811 0.84 NPC1 (0.50) HPGDPOLBSMN1; SMN2HSD17B10EPHX2
SCHEMBL7700947 0.84 KDM4E (0.47) HSD17B10EPHX2PTGESCNR1CNR2
SCHEMBL7698708 0.83 CNR1 (0.49) EPHX2CYP2C9PTGESCNR1CNR2
SCHEMBL7696225 0.83 EPHX2 (0.45) HPGDPOLBHSD17B10EPHX2CYP2C9
SCHEMBL7695821 0.82 ECE1 (0.49) HPGDSMN1; SMN2EPHX2CYP2C9PTGES

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