SCHEMBL7020115

SCHEMBL7020115

CCCCCCC(C(=O)O)n1ccc2cc(-c3ccccc3C(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.50
AGTR1 P30556 4/20 0.46
AGTR2 P50052 4/20 0.46
PPARG P37231 6/20 0.44
BRS3 P32247 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL7017402 0.85 AGTR1 (0.44) AGTR1AGTR2PPARGALDH1A1
SCHEMBL7020510 0.82 PPARA (0.44) PTPN11AGTR1AGTR2
SCHEMBL7020436 0.81 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL7017865 0.80 AGTR1 (0.48) AGTR1AGTR2LTB4R2
SCHEMBL30850132 0.79 SLC6A2 (0.45) PPARG
SCHEMBL7020223 0.77 PTPN11 (0.43) PTPN11AGTR1AGTR2PPARGBRS3
SCHEMBL29996536 0.73 CYP11B1 (0.58) PTPN11AGTR1AGTR2PPARGLTB4R2
SCHEMBL9090044 0.72 PTPN11 (0.53) PTPN11AGTR1AGTR2PPARGBRS3
SCHEMBL9723846 0.68 ALDH1A1 (0.58) PTPN11AGTR1PPARGBRS3ALDH1A1
SCHEMBL6422373 0.67 PTPN11 (0.59) PTPN11BRS3ALDH1A1LTB4R2

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