SCHEMBL4451118

SCHEMBL4451118

COc1cccc2c1C=CC(c1ccccc1)(c1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.39
BCHE P06276 6/20 0.39
ITGA4 P13612 2/20 0.34
ITGB7 P26010 2/20 0.34
ITGB1 P05556 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 2/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HCRTR1 O43613 1/20 0.31

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
SCHEMBL7728093 0.99 ACHE (0.39) ACHEBCHEITGA4ITGB7ITGB1
SCHEMBL7118273 0.93 ACHE (0.43) ACHEBCHEOPRM1OPRD1OPRK1
SCHEMBL7455420 0.76 ACHE (0.37) ACHEBCHEOPRM1OPRL1ALDH1A1
SCHEMBL8133774 0.76 PRCP (0.34) KMT2A
SCHEMBL9391964 0.75 ACHE (0.38) ACHEBCHEALDH1A1LMNA
SCHEMBL7729865 0.74 SLC6A2 (0.33) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6788081 0.71 DRD2 (0.31) GAA
SCHEMBL7844950 0.71 KDM4E (0.36) ALDH1A1GAAKMT2AMEN1
SCHEMBL7839463 0.71 L3MBTL1 (0.38) ACHELMNAKMT2AHCRTR1HCRTR2
SCHEMBL7229672 0.68 SIGMAR1 (0.38) OPRM1OPRL1ALDH1A1KMT2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170218132-A1 METHOD OF MAKING PLASTIC ARTICLE SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2017-08-03 US disclosed
EP-3174918-A1 METHOD OF MAKING PLASTIC ARTICLE SABIC Global Technologies B.V. (NL) 2017-06-07 EP disclosed
WO-2016016808-A1 METHOD OF MAKING PLASTIC ARTICLE SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-02-04 WO disclosed
EP-2025701-A2 Polycarbonate articles with photochromic properties GENERAL ELECTRIC COMPANY (US) 2009-02-18 EP disclosed
EP-0934968-B1 Polycarbonate articles with photochromic properties SABIC INNOVATIVE PLASTICS IP (NL) 2009-01-07 EP disclosed
US-7048997-B2 Production of optical elements VISION-EASE LENS (US) 2006-05-23 US disclosed
US-6337409-B1 3,3-DISUBSTITUTED NAPHTHOPYRAN; COLOR RESPONSE UPON ULTRAVIOLET LIGHT EXPOSURE EXTENDS TO ORANGE, REDDISH-ORANGE OR PURPLE; BATHYCHROMIC SHIFT OF MAXIMUM ACTIVATED WAVELENGTH; PLASTIC OPHTHALMIC LENSES VISION-EASE LENS, INC. 2002-01-08 US disclosed
US-20010035935-A1 Production of optical elements VISION-EASE LENS, INC. 2001-11-01 US disclosed
US-6114437-A SOLVENT CASTING POLYCARBONATE RESINS PREVIOUSLY HOMOGENEOUSLY MIXED WITH A PHOTOCHROMIC DYE AND THEN EVAPORATING THE SOLVENT; MOLDING MATERIALS; INJECTION MOLDING AT MODERATE TEMPERATURES TO PREVENT DEGRADATION; GLAZINGS GENERAL ELECTRIC COMPANY (US) 2000-09-05 US disclosed
US-6113812-A BENZOPYRAN COMPOUND VISION-EASE LENS, INC. (US) 2000-09-05 US disclosed
EP-0934968-A2 Polycarbonate articles with photochromic properties GENERAL ELECTRIC COMPANY (US) 1999-08-11 EP disclosed
US-5757459-A Multifocal optical elements VISION-EASE LENS, INC. (US) 1998-05-26 US disclosed