SCHEMBL7698683

SCHEMBL7698683

COCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
HPGD P15428 3/20 0.52
CYP2C19 P33261 2/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
CETP P11597 5/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
KMT2A Q03164 1/20 0.47
CEPT1 Q9Y6K0 2/20 0.47

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
SCHEMBL7705248 0.88 CETP (0.59) MAPTHPGDCYP2C19NPC1RAB9A
SCHEMBL7703221 0.87 RAB9A (0.67) MAPTHPGDCYP2C19NPC1RAB9A
SCHEMBL7701405 0.85 NPC1 (0.56) MAPTHPGDHTTNPC1RAB9A
SCHEMBL7695399 0.85 KDM4E (0.51) MAPTHPGDCYP2C19ALOX12MAPK1
SCHEMBL7694301 0.84 RAB9A (0.52) MAPTHPGDCYP2C19HTTNPC1
SCHEMBL7701153 0.84 ALDH1A1 (0.63) MAPTHPGDMAPK1HTTNPC1
SCHEMBL7697078 0.83 HPGD (0.56) MAPTHPGDNPC1RAB9ACASP3
SCHEMBL7693588 0.83 KDM4E (0.65) MAPTHPGDCYP2C19NPC1RAB9A
SCHEMBL7700048 0.83 NPC1 (0.50) MAPTHPGDMAPK1HTTNPC1
SCHEMBL7701960 0.83 DGAT1 (0.52) MAPTMAPK1HTTCETPALDH1A1

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