SCHEMBL7981607

SCHEMBL7981607

COC(=O)C(CC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
KMT2A Q03164 6/20 0.54
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 4/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.44
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44

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 0.93 L3MBTL1 (0.61) L3MBTL1KMT2AALOX5ALDH1A1MAPT
SCHEMBL7978680 0.88 L3MBTL1 (0.73) L3MBTL1KMT2AALDH1A1MAPTGAA
SCHEMBL7965237 0.88 L3MBTL1 (0.55) L3MBTL1KMT2AALDH1A1MAPTGAA
SCHEMBL7978822 0.86 L3MBTL1 (0.54) L3MBTL1KMT2AALDH1A1MAPTLMNA
SCHEMBL7976868 0.83 KMT2A (0.47) L3MBTL1KMT2AALDH1A1MAPTGAA
SCHEMBL12309829 0.82 MAPT (0.49) L3MBTL1KMT2AALDH1A1MAPTGAA
SCHEMBL7976975 0.82 L3MBTL1 (0.55) L3MBTL1KMT2AALDH1A1MAPTGAA
SCHEMBL28641204 0.80 MAPT (0.72) L3MBTL1KMT2AALOX5ALDH1A1MAPT
SCHEMBL11090178 0.79 ALDH1A1 (0.49) KMT2AALDH1A1MAPTGAALMNA
SCHEMBL2880324 0.79 KMT2A (0.57) KMT2AALDH1A1MAPTCES2CES1

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