SCHEMBL6967119

SCHEMBL6967119

Cc1c(C)c2c(c(C)c1OCc1ccccc1)C(CN1CCC[C@H]1COc1ccc(CC3SC(=O)NC3=O)cc1)C(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARA Q07869 6/20 0.40
PPARG P37231 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KCNH2 Q12809 2/20 0.38
MCHR1 Q99705 2/20 0.38

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
SCHEMBL6976793 1.00 FFAR1 (0.42) FFAR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL6963243 1.00 FFAR1 (0.42) FFAR1MEN1ALDH1A1TP53CYP1A2
Hydrochloric Acid SCHEMBL6977005 0.99 FFAR1 (0.42) FFAR1MEN1ALDH1A1TP53CYP1A2
Maleic Acid SCHEMBL6964193 0.96 PPARG (0.41) FFAR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL6964333 0.89 CYP3A4 (0.46) FFAR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL6964327 0.89 CYP3A4 (0.46) FFAR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL6976385 0.89 CYP3A4 (0.46) FFAR1MEN1ALDH1A1TP53CYP1A2
Hydrochloric Acid SCHEMBL6977644 0.88 CYP3A4 (0.45) FFAR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL6969419 0.84 HPGD (0.47) MEN1HPGDKMT2A
SCHEMBL6967496 0.84 HPGD (0.47) MEN1HPGDKMT2A

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