SCHEMBL8934572

SCHEMBL8934572

COc1ccc(CC2(c3ccccc3)Cc3ccccc3OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
LTA4H P09960 1/20 0.37
PPIB P23284 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM1 P11229 1/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
GAA P10253 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL10693883 0.71 BACE1 (0.44) HTTL3MBTL1ARMEN1KMT2A
SCHEMBL2985677 0.70 MAOA (0.35) L3MBTL1PPIBMEN1KMT2A
SCHEMBL21248511 0.68 MAOB (0.38) MEN1GAAKMT2A
SCHEMBL29133215 0.67 MAOA (0.45) MEN1GAAKMT2A
SCHEMBL13291882 0.66 LTA4H (0.47) HTTOPRM1OPRL1LTA4HMEN1
SCHEMBL22365590 0.65 SIGMAR1 (0.44) ARMEN1KMT2A
SCHEMBL754484 0.65 MAOA (0.38) GAA
SCHEMBL29798795 0.64 MAOA (0.43) L3MBTL1KDM4EAPAF1GAAKMT2A
SCHEMBL7783926 0.64 MAOA (0.43) L3MBTL1KDM4EAPAF1GAAKMT2A
SCHEMBL31015957 0.64 MAOA (0.43) HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO claimed