SCHEMBL7020510

SCHEMBL7020510

CCCCCCC(C(=O)O)n1ccc2cc(-c3cccc(OC)c3C(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.44
ICMT O60725 2/20 0.41
PLK1 P53350 1/20 0.38
PTPN11 Q06124 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CNR2 P34972 1/20 0.36
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
SLC37A4 O43826 1/20 0.35
SERPINE1 P05121 1/20 0.35

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 0.88 AGTR1 (0.44) PPARAAGTR1AGTR2SLC37A4
SCHEMBL7020115 0.82 PTPN11 (0.50) PTPN11AGTR1AGTR2
SCHEMBL8931868 0.80 PPARA (0.44) PPARAICMTPLK1PTPN11CA12
SCHEMBL7020436 0.75 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8931862 0.74 FFAR4 (0.47) ICMTCA12CA1CA2CA7
SCHEMBL7017865 0.73 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL30850132 0.73 SLC6A2 (0.45) PPARA
SCHEMBL7017629 0.67 ICMT (0.33) ICMT
SCHEMBL4002652 0.64 CA12 (0.69) PPARACA12CA1CA2CA7
SCHEMBL30536599 0.64 CA12 (0.69) PPARACA12CA1CA2CA7

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