SCHEMBL7704553

SCHEMBL7704553

CCN(C(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1cccc(N(C)C)c1)C1=COC(Cc2ccccc2)O1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.34
PPARA Q07869 8/20 0.33
PPARG P37231 7/20 0.33
CYP2C9 P11712 6/20 0.33
CYP3A4 P08684 5/20 0.33
KCNH2 Q12809 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 1/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
CYP2C19 P33261 2/20 0.30
HDAC8 Q9BY41 1/20 0.30
TARBP2 Q15633 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL7702693 0.87 KMT2A (0.38) PPARGCYP2C9CYP3A4KDM4EALDH1A1
SCHEMBL7700374 0.81 ALDH1A1 (0.32) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7693804 0.79 IKBKB (0.45) IKBKBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7695157 0.77 IKBKB (0.48) IKBKBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7704549 0.76 ALDH1A1 (0.39) IKBKBCYP2C9CYP3A4KDM4EALDH1A1
SCHEMBL7698726 0.76 LMNA (0.47) IKBKBEGFR
SCHEMBL7694123 0.74 KDM4E (0.53) IKBKBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7699232 0.73 ALDH1A1 (0.47) IKBKBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7705474 0.72 IKBKB (0.42) IKBKBKDM4EALDH1A1HPGD
SCHEMBL7693979 0.72 IKBKB (0.42) IKBKBKDM4EALDH1A1HPGDHSD17B10

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