SCHEMBL7054598

SCHEMBL7054598

CCC(C)(CCCC(C)(C)c1cccc(C)c1O)c1cccc(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
ALDH1A1 P00352 2/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
TRPA1 O75762 2/20 0.35
CA2 P00918 1/20 0.35
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SCN2A Q99250 1/20 0.30

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
SCHEMBL2914758 0.83 GABRA1 (0.55) GABRA1GABRB2ALDH1A1CNR1CNR2
SCHEMBL6941224 0.81 CNR2 (0.55) GABRA1GABRB2ALDH1A1CNR1CNR2
SCHEMBL9422306 0.80 GABRA1 (0.60) GABRA1GABRB2ALDH1A1CNR1CNR2
SCHEMBL57364 0.80 GABRA1 (0.64) GABRA1GABRB2ALDH1A1CNR1CNR2
SCHEMBL7054596 0.79 TRPA1 (0.39) GABRA1GABRB2ALDH1A1CNR1CNR2
SCHEMBL2911405 0.79 GABRA1 (0.62) GABRA1GABRB2ALDH1A1CNR1CNR2
SCHEMBL5704783 0.78 GABRA1 (0.56) GABRA1GABRB2ALDH1A1CNR1CNR2
SCHEMBL7150243 0.74 GABRA1 (0.60) GABRA1GABRB2ALDH1A1CNR1CNR2
SCHEMBL5079537 0.73 GABRA1 (0.64) GABRA1GABRB2ALDH1A1TRPA1CA2
SCHEMBL1837352 0.73 CA2 (0.50) GABRA1GABRB2CNR1CNR2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305272-A2 PHENOLIC COMPOUNDS AND POLYMERS DERIVED THEREFROM GENERAL ELECTRIC COMPANY (US) 2003-05-02 EP claimed
WO-2002008165-A2 PHENOLIC COMPOUNDS, AND POLYMERS DERIVED THEREFROM GENERAL ELECTRIC COMPANY (US) 2002-01-31 WO claimed
US-6255438-B1 NOVEL PHENOLIC COMPOUNDS WHICH CAN BE POLYMERIZED WITH AT LEAST ONE DIHYDRIC PHENOL AND CARBONATE PRECURSOR UNDER REACTIVE CONDITIONS TO FORM POLYCARBONATES AND POLYCARBONATEESTER COPOLYMERS GENERAL ELECTRIC COMPANY 2001-07-03 US claimed
EP-1305272-A2 PHENOLIC COMPOUNDS AND POLYMERS DERIVED THEREFROM GENERAL ELECTRIC COMPANY (US) 2003-05-02 EP disclosed
WO-2002008165-A2 PHENOLIC COMPOUNDS, AND POLYMERS DERIVED THEREFROM GENERAL ELECTRIC COMPANY (US) 2002-01-31 WO disclosed
US-6255438-B1 NOVEL PHENOLIC COMPOUNDS WHICH CAN BE POLYMERIZED WITH AT LEAST ONE DIHYDRIC PHENOL AND CARBONATE PRECURSOR UNDER REACTIVE CONDITIONS TO FORM POLYCARBONATES AND POLYCARBONATEESTER COPOLYMERS GENERAL ELECTRIC COMPANY 2001-07-03 US disclosed