SCHEMBL7021301

SCHEMBL7021301

CCCCCCC(C(=O)OCC)n1ccc2cc(-c3cccc(OC)c3C3=NC(C)(C)CO3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.34
CTDSP1 Q9GZU7 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
APLNR P35414 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
TTK P33981 2/20 0.30
IL2 P60568 1/20 0.30

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
SCHEMBL7017629 0.89 ICMT (0.33) ICMTSIRT2BRD4CREBBPIL2
SCHEMBL7019188 0.74 KDM4E (0.35) BRD4CREBBP
SCHEMBL7020510 0.73 PPARA (0.44) ICMTPPARA
SCHEMBL7017667 0.72 PPARG (0.38) ICMTTDP1PPARG
SCHEMBL7023188 0.67 MEN1 (0.43) BRD4
SCHEMBL7020115 0.66 PTPN11 (0.50) PPARG
SCHEMBL7017402 0.65 AGTR1 (0.44) PPARGPPARA
SCHEMBL29167237 0.65 FFAR4 (0.38) TDP1
SCHEMBL7020436 0.64 AGTR1 (0.47)
SCHEMBL22560182 0.64 KDM4E (0.43) PPARA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed