SCHEMBL6962856

SCHEMBL6962856

Cc1c(C)c2c(c(C)c1O)[C@H](CN1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 15/20 0.46
PARP1 P09874 1/20 0.42
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PYGL P06737 1/20 0.39

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
SCHEMBL8305155 1.00 HPGD (0.46) HPGDPARP1PIM1PIM2HRH3
SCHEMBL6969819 1.00 HPGD (0.46) HPGDPARP1PIM1PIM2HRH3
SCHEMBL6967496 0.87 HPGD (0.47) HPGD
SCHEMBL6970975 0.87 HPGD (0.47) HPGD
SCHEMBL6969419 0.87 HPGD (0.47) HPGD
Hydrochloric Acid SCHEMBL6958761 0.86 HPGD (0.47) HPGD
Maleic Acid SCHEMBL6974160 0.85 HPGD (0.44) HPGD
SCHEMBL6976385 0.82 CYP3A4 (0.46) HPGDHRH3
SCHEMBL6964327 0.82 CYP3A4 (0.46) HPGDHRH3
SCHEMBL6964333 0.82 CYP3A4 (0.46) HPGDHRH3

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 4 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 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