SCHEMBL7978680

SCHEMBL7978680

COC(=O)C(CC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.73
POLB P06746 2/20 0.52
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 3/20 0.44
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
TRPA1 O75762 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
GSK3B P49841 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
SCHEMBL7976858 0.94 L3MBTL1 (0.61) L3MBTL1POLBKMT2AMAPTALDH1A1
SCHEMBL7965237 0.88 L3MBTL1 (0.55) L3MBTL1POLBKMT2AMAPTALDH1A1
SCHEMBL7981607 0.88 L3MBTL1 (0.54) L3MBTL1POLBKMT2AMAPTALDH1A1
SCHEMBL7976975 0.87 L3MBTL1 (0.55) L3MBTL1KMT2AMAPTALDH1A1GAA
SCHEMBL7978822 0.86 L3MBTL1 (0.54) L3MBTL1POLBKMT2AMAPTALDH1A1
SCHEMBL7978676 0.84 ALDH1A1 (0.52) L3MBTL1POLBKMT2AMAPTALDH1A1
SCHEMBL7976868 0.81 KMT2A (0.47) L3MBTL1KMT2AMAPTALDH1A1GAA
SCHEMBL12309829 0.80 MAPT (0.49) L3MBTL1POLBKMT2AMAPTALDH1A1
SCHEMBL7975449 0.78 MAPT (0.51) L3MBTL1POLBCYP2C9CYP2C19KMT2A
SCHEMBL11090178 0.77 ALDH1A1 (0.49) POLBKMT2AMAPTALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001060781-A2 DIPHENYL COMPOUNDS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-08-23 WO claimed
WO-2001060781-A2 DIPHENYL COMPOUNDS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-08-23 WO disclosed