SCHEMBL7698147

SCHEMBL7698147

O=C(CCC1CCCC1)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)NCc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
EPHX2 P34913 4/20 0.41
PTGES O14684 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CETP P11597 1/20 0.39
DGAT1 O75907 7/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LDLR P01130 1/20 0.38
PPARG P37231 1/20 0.38
MAPK1 P28482 1/20 0.38

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 0.88 DGAT1 (0.48) EPHX2PTGESCNR1CNR2ALDH1A1
SCHEMBL7702160 0.88 EPHX2 (0.44) EPHX2PTGESCNR1CNR2CETP
SCHEMBL7700939 0.87 HPGD (0.44) EPHX2PTGESCNR1CNR2DGAT1
SCHEMBL7701069 0.87 POLB (0.48) EPHX2PTGESCNR1CNR2HTT
SCHEMBL7699624 0.86 DGAT1 (0.47) EPHX2PTGESCNR1CNR2ALDH1A1
SCHEMBL7699158 0.86 EPHX2 (0.45) EPHX2PTGESCNR1CNR2DGAT1
SCHEMBL7700054 0.86 NPC1 (0.50) EPHX2PTGESCNR1CNR2ALDH1A1
SCHEMBL7696432 0.85 CNR1 (0.43) EPHX2PTGESCNR1CNR2ALDH1A1
SCHEMBL7701312 0.85 CDC25A (0.46) EPHX2PTGESCNR1CNR2ALDH1A1
SCHEMBL7696225 0.85 EPHX2 (0.45) EPHX2PTGESCNR1CNR2ALDH1A1

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