SCHEMBL3843653

SCHEMBL3843653

COC(=O)C(=O)c1c[nH]c2cc(Cc3ccc(OC(F)(F)F)cc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAT1 O14929 1/20 0.44
EP300 Q09472 1/20 0.44
MAPT P10636 1/20 0.43
NR4A2 P43354 3/20 0.43
GABRA1 P14867 3/20 0.43
GABRB1 P18505 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRB2 P47870 3/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 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
SCHEMBL6030492 0.81 NR4A2 (0.52) MAPTNR4A2GABRA1GABRB1GABRA3
SCHEMBL1558918 0.77 MAPT (0.46) MAPTNR4A2GABRA1GABRB1GABRA3
SCHEMBL19983951 0.76 TRPV1 (0.41) TRPV1
SCHEMBL6029910 0.76 MAPT (0.66) MAPTNR4A2GABRA1GABRB1GABRA3
SCHEMBL6029993 0.75 MEN1 (0.58) HAT1EP300MAPTNR4A2TUBB1
SCHEMBL6028950 0.74 MAPT (0.53) MAPTNR4A2GABRA1GABRB1GABRA3
Hydrochloric Acid SCHEMBL14487414 0.74 MEN1 (0.56) HAT1EP300MAPTNR4A2TUBB1
SCHEMBL1558387 0.74 MAPT (0.46) HAT1EP300MAPTNR4A2TUBB1
SCHEMBL17338592 0.74 KDM4E (0.52) GABRA1GABRB1GABRA3GABRB2TRPV1
SCHEMBL4650158 0.73 GABRA1 (0.58) GABRA1GABRB1GABRA3GABRB2

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
EP-2010171-A2 INHIBITORS OF PAI-1 FOR TREATMENT OF MUSCULAR CONDITIONS Wyeth a Corporation of the State of Delaware (US) 2009-01-07 EP disclosed
WO-2007098278-A2 INHIBITORS OF PAI-1 FOR TREATMENT OF MUSCULAR CONDITIONS WYETH (US) 2007-08-30 WO disclosed