SCHEMBL6967803

SCHEMBL6967803

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN(C)CCOc1ccc([N+](=O)[O-])cc1)O2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.36
MCHR1 Q99705 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PSEN1 P49768 3/20 0.35

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
SCHEMBL6970202 0.93 KCNH2 (0.45) KCNH2ABCG2MEN1KMT2AMAPT
SCHEMBL6977278 0.90 KCNH2 (0.45) KCNH2ABCG2MEN1KMT2AMAPT
SCHEMBL6980438 0.88 MAPT (0.38) KCNH2MEN1KMT2AMAPTMCHR1
SCHEMBL10639001 0.88 PSEN1 (0.40) ABCG2MEN1KMT2AMAPTTDP1
SCHEMBL6969675 0.88 MEN1 (0.38) KCNH2MEN1KMT2AMAPTMCHR1
SCHEMBL6978127 0.85 TTPA (0.47) KCNH2MEN1KMT2AMAPT
SCHEMBL8486214 0.84 PSEN1 (0.39) MEN1KMT2AMAPTTDP1PSEN1
SCHEMBL6967865 0.82 HPGD (0.51) MEN1KMT2A
SCHEMBL6967873 0.82 HPGD (0.51) MEN1KMT2A
SCHEMBL6975450 0.82 PPARG (0.41) MEN1KMT2AMAPTTDP1PSEN1

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-0801063-B1 Thiazolidinedione derivatives having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them REDDYS LAB LTD DR (IN) 2003-01-15 EP disclosed
EP-0801063-A1 Thiazolidinedione derivatives having antidiabetic, hypolipidaemic antihypertensive properties, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-10-15 EP disclosed