SCHEMBL7229672

SCHEMBL7229672

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(cccc3C(C)Cc3ccccc3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
SLC6A4 P31645 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LTA4H P09960 1/20 0.35
LDHA P00338 1/20 0.35
MMP1 P03956 3/20 0.34
MMP13 P45452 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP9 P14780 1/20 0.33
SLC2A1 P11166 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL7118273 0.70 ACHE (0.43) ALDH1A1L3MBTL1OPRM1OPRL1
SCHEMBL7021746 0.68 MAOB (0.33) SLC6A4MEN1KMT2AOPRM1OPRL1
SCHEMBL4451118 0.68 ACHE (0.39) SLC6A4MEN1KMT2AALDH1A1OPRM1
SCHEMBL7455420 0.67 ACHE (0.37) ALDH1A1L3MBTL1OPRM1OPRL1
SCHEMBL9114805 0.66 KDM4E (0.40) MEN1KMT2AALDH1A1L3MBTL1OPRM1
SCHEMBL6793677 0.65 KIF11 (0.37) SLC6A4KMT2AL3MBTL1OPRM1OPRL1
Ammonia Solution, Strong SCHEMBL5305768 0.65 ALDH1A1 (0.58) SIGMAR1SLC6A4PPARGPPARAMEN1
SCHEMBL4603238 0.63 MEN1 (0.59) SIGMAR1SLC6A4PPARGPPARAMEN1
SCHEMBL4603241 0.63 MEN1 (0.59) SIGMAR1SLC6A4PPARGPPARAMEN1
SCHEMBL6788081 0.63 DRD2 (0.31)

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
US-6627121-B1 Plastic lenses; high optical density on photoactivation; high fatigue resistance; fast decoloration in dark YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-09-30 US disclosed