SCHEMBL7017629

SCHEMBL7017629

CCCCCCC(C(=O)OCC)n1ccc2cc(-c3ccccc3C3=NC(C)(C)CO3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
PLA2G4A P47712 1/20 0.31
IL2 P60568 1/20 0.31
S1PR3 Q99500 1/20 0.31
ALDH2 P05091 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 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
SCHEMBL7021301 0.89 ICMT (0.34) ICMTSIRT2BRD4CREBBPIL2
SCHEMBL7017667 0.78 PPARG (0.38) ICMTALDH1A1
SCHEMBL7020115 0.71 PTPN11 (0.50) ALDH1A1
SCHEMBL7020436 0.71 AGTR1 (0.47) PLA2G4A
SCHEMBL7016325 0.70 KDM4E (0.38) BRD4CREBBPIL2S1PR3ALDH1A1
SCHEMBL7017865 0.70 AGTR1 (0.48)
SCHEMBL8873995 0.69 PDK2 (0.43) IL2ALDH1A1
SCHEMBL29167237 0.69 FFAR4 (0.38)
SCHEMBL7017402 0.67 AGTR1 (0.44) ALDH1A1HTTATM
SCHEMBL7020510 0.67 PPARA (0.44) ICMT

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