SCHEMBL5310609

SCHEMBL5310609

CC(C=O)CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
L3MBTL1 Q9Y468 5/20 0.50
GSK3B P49841 2/20 0.50
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
PDPK1 O15530 1/20 0.43
HSP90AA1 P07900 1/20 0.43
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DPP4 P27487 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
SCHEMBL14312145 0.84 GSK3B (0.50) POLBL3MBTL1GSK3BKMT2ANPC1
SCHEMBL11176038 0.81 TSHR (0.55) POLBL3MBTL1GSK3BKMT2ANPC1
SCHEMBL6410944 0.81 POLB (0.60) POLBL3MBTL1GSK3BCYP2C9CYP2C19
SCHEMBL11839825 0.79 POLB (0.58) POLBL3MBTL1GSK3BCYP2C9CYP2C19
SCHEMBL5964997 0.79 HDAC3 (0.54) L3MBTL1GSK3BNPC1RAB9AMAPT
SCHEMBL8644695 0.79 HTT (0.46) POLBL3MBTL1MAPTALDH1A1LMNA
SCHEMBL8650365 0.78 GSK3B (0.53) GSK3BKMT2ARAB9AMAPTALDH1A1
SCHEMBL3031841 0.78 POLB (0.57) POLBL3MBTL1GSK3BCYP2C9CYP2C19
SCHEMBL16313486 0.78 POLB (0.57) POLBL3MBTL1GSK3BCYP2C9CYP2C19
SCHEMBL8306301 0.76 POLB (0.64) POLBL3MBTL1GSK3BCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
CN-1151126-C 1, 2-diphenylpyrrole derivatives, their preparation and their therapeutic uses ������������ʽ���� 2004-05-26 CN disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
CN-1168372-A 1, 2-diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1997-12-24 CN disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed