SCHEMBL6972293

SCHEMBL6972293

Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCC[C@H]1COc1ccc(CC3SC(=O)NC3=O)cc1)O2.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 3/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
CYP2C9 P11712 2/20 0.37
USP2 O75604 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
HIF1A Q16665 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL6962895 0.99 MAPT (0.47) MAPTKMT2ATDP1MEN1CYP3A4
SCHEMBL6969023 0.99 MAPT (0.47) MAPTKMT2ATDP1MEN1CYP3A4
SCHEMBL6966713 0.99 MAPT (0.47) MAPTKMT2ATDP1MEN1CYP3A4
Hydrochloric Acid SCHEMBL6974975 0.99 MAPT (0.46) MAPTKMT2ATDP1MEN1CYP3A4
SCHEMBL6963477 0.89 FFAR1 (0.41) MAPTKMT2ATDP1MEN1CYP3A4
SCHEMBL6963241 0.88 FFAR1 (0.42) MAPTKMT2ATDP1MEN1CYP3A4
SCHEMBL6962682 0.88 FFAR1 (0.42) MAPTKMT2ATDP1MEN1CYP3A4
SCHEMBL6962690 0.88 FFAR1 (0.42) MAPTKMT2ATDP1MEN1CYP3A4
SCHEMBL6963557 0.88 FFAR1 (0.42) MAPTKMT2ATDP1MEN1CYP3A4
Hydrochloric Acid SCHEMBL6971881 0.88 FFAR1 (0.41) MAPTKMT2ATDP1MEN1CYP3A4

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-0894089-B9 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2003-04-02 EP claimed
EP-0894089-B1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2002-10-23 EP claimed
EP-0894089-B9 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2003-04-02 EP disclosed
EP-0894089-B1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2002-10-23 EP disclosed
EP-0894089-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-02-03 EP disclosed
WO-1997041121-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed