SCHEMBL8964414

SCHEMBL8964414

COc1cccc(CC(NC(C)=O)(C(=O)O)C(=O)O)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTGER4 P35408 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL8873826 0.80 BCHE (0.55) BCHEMEN1KMT2AKDM4EL3MBTL1
SCHEMBL8873833 0.80 BCHE (0.55) BCHEMEN1KMT2AKDM4EL3MBTL1
SCHEMBL8873840 0.80 BCHE (0.55) BCHEMEN1KMT2AKDM4EL3MBTL1
SCHEMBL8874543 0.77 BCHE (0.51) BCHEMEN1KMT2AKDM4EL3MBTL1
SCHEMBL8874546 0.77 BCHE (0.51) BCHEMEN1KMT2AKDM4EL3MBTL1
SCHEMBL8874541 0.77 BCHE (0.51) BCHEMEN1KMT2AKDM4EL3MBTL1
SCHEMBL6035722 0.76 BCHE (0.63) BCHEMEN1KMT2AKDM4EL3MBTL1
SCHEMBL13888119 0.76 BCHE (0.69) BCHEMEN1KMT2AKDM4EL3MBTL1
SCHEMBL8964028 0.75 BCHE (0.55) BCHEMEN1KMT2AKDM4EL3MBTL1
SCHEMBL8964021 0.75 BCHE (0.55) BCHEMEN1KMT2AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5350757-A Treatment of vascular restenosis, nervous system disorders and cognition enhancement WARNER-LAMBERT COMPANY (US) 1994-09-27 US 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