SCHEMBL8964099

SCHEMBL8964099

COc1ccc(C[C@H](N)C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.57
MMP2 P08253 2/20 0.57
MMP3 P08254 2/20 0.57
MMP9 P14780 2/20 0.57
MMP12 P39900 2/20 0.57
MMP13 P45452 2/20 0.57
LDHA P00338 1/20 0.56
SMPD1 P17405 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
BCHE P06276 1/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
SLC7A5 Q01650 3/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
RXRA P19793 1/20 0.52

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
SCHEMBL8964094 1.00 MMP1 (0.57) MMP1MMP2MMP3MMP9MMP12
SCHEMBL16228426 0.90 SMPD1 (0.56) MMP1MMP2MMP3MMP9MMP12
SCHEMBL16228423 0.90 SMPD1 (0.56) MMP1MMP2MMP3MMP9MMP12
SCHEMBL31242504 0.86 LDHA (0.73) LDHASLC7A5ALPIPKMPTGS1
SCHEMBL29637606 0.86 LDHA (0.73) LDHASLC7A5ALPIPKMPTGS1
SCHEMBL30013904 0.86 LDHA (0.73) LDHASLC7A5ALPIPKMPTGS1
SCHEMBL159001 0.86 LDHA (0.73) LDHASLC7A5ALPIPKMPTGS1
SCHEMBL159000 0.86 LDHA (0.73) LDHASLC7A5ALPIPKMPTGS1
SCHEMBL8009937 0.86 LDHA (0.73) LDHASLC7A5ALPIPKMPTGS1
SCHEMBL16228357 0.86 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP

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 9 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-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