SCHEMBL7020261

SCHEMBL7020261

CCCCCCC(CC(=O)OC)n1ccc2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 1/20 0.35
AR P10275 1/20 0.35
PPARA Q07869 1/20 0.35
ICMT O60725 3/20 0.35
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
TSHR P16473 1/20 0.34
NR3C1 P04150 1/20 0.34

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
SCHEMBL7017667 0.82 PPARG (0.38) PPARGL3MBTL1ICMTF11KLKB1
SCHEMBL7019155 0.71 AGTR1 (0.45)
SCHEMBL7024786 0.70 NR3C1 (0.43) L3MBTL1ABL1NR3C1
SCHEMBL8912814 0.70 GCGR (0.43) PPARGARNR3C1
SCHEMBL7015212 0.69 GABRA1 (0.42) PPARGF11KLKB1
SCHEMBL7020115 0.69 PTPN11 (0.50) PPARG
SCHEMBL7018067 0.68 HTT (0.39) PPARGL3MBTL1
SCHEMBL7020510 0.67 PPARA (0.44) PPARAICMT
SCHEMBL7022758 0.67 ALDH1A1 (0.38) PPARGL3MBTL1
SCHEMBL27245964 0.66 PTPN11 (0.59)

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-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US 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