SCHEMBL8875136

SCHEMBL8875136

COc1cccc(CC(N)C(=O)O)c1OCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.58
ALOX5 P09917 1/20 0.58
PPARG P37231 1/20 0.58
SCN9A Q15858 1/20 0.48

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
SCHEMBL8875142 1.00 PTGES (0.58) PTGESALOX5PPARGSCN9A
SCHEMBL8875155 1.00 PTGES (0.58) PTGESALOX5PPARGSCN9A
SCHEMBL421658 0.88 BCHE (0.56)
SCHEMBL8874672 0.88 BCHE (0.56)
SCHEMBL421657 0.88 BCHE (0.56)
Hydrochloric Acid SCHEMBL23780699 0.87 KDM4E (0.56)
Hydrochloric Acid SCHEMBL23780698 0.87 KDM4E (0.56)
SCHEMBL17773509 0.85 PPARG (0.52) PTGESALOX5PPARG
SCHEMBL18342645 0.83 ALPI (0.54) PTGESALOX5PPARG
SCHEMBL7375715 0.83 ALDH1A1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489686-A CARDIOVASCULAR DISORDER, NERVOUS SYSTEM DISORDER, ANTIDIURETIC , PSYCHLOGICAL DISORDER, ANTIDEPRESSANTS WARNER-LAMBERT COMPANY (US) 1996-02-06 US claimed
EP-0641326-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES WITH ANGIOTENSIN II RECEPTOR ANTAGONIST PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-03-08 EP claimed
WO-1993023378-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES WITH ANGIOTENSIN II RECEPTOR ANTAGONIST PROPERTIES WARNER-LAMBERT COMPANY (US) 1993-11-25 WO claimed
US-5658943-A VASODILATOR FOR CARDIOVASCULAR DISORDER, HYPOTENSIVE AGENT WARNER-LAMBERT COMPANY (US) 1997-08-19 US disclosed
US-5525614-A TREATING VASCULAR RESTENOSIS, CNS DISORDERS WARNER-LAMBERT COMPANY (US) 1996-06-11 US disclosed
US-5489686-A CARDIOVASCULAR DISORDER, NERVOUS SYSTEM DISORDER, ANTIDIURETIC , PSYCHLOGICAL DISORDER, ANTIDEPRESSANTS WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
EP-0641326-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES WITH ANGIOTENSIN II RECEPTOR ANTAGONIST PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-03-08 EP disclosed
US-5350757-A Treatment of vascular restenosis, nervous system disorders and cognition enhancement WARNER-LAMBERT COMPANY (US) 1994-09-27 US disclosed
WO-1993023378-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES WITH ANGIOTENSIN II RECEPTOR ANTAGONIST PROPERTIES WARNER-LAMBERT COMPANY (US) 1993-11-25 WO disclosed
US-5246943-A Substituted 1,2,3,4-tetahydroisoquinolines with angiotensin II receptor antagonist properties WARNER-LAMBERT COMPANY (US) 1993-09-21 US disclosed