SCHEMBL7054596

SCHEMBL7054596

CCC(C)(CCCC(C)(C)c1cccc(O)c1C)c1cccc(O)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CA2 P00918 2/20 0.32
TYR P14679 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL4399347 0.80 TRPA1 (0.50) TRPA1ATMCNR1CNR2ALDH1A1
SCHEMBL29715808 0.80 TRPA1 (0.50) TRPA1ATMCNR1CNR2ALDH1A1
SCHEMBL7054598 0.79 GABRA1 (0.50) TRPA1ATMCNR1CNR2ALDH1A1
SCHEMBL4219474 0.79 TRPA1 (0.48) TRPA1ATMCNR1CNR2ALDH1A1
SCHEMBL29688427 0.73 TRPA1 (0.50) TRPA1ATMALDH1A1TSHRTDP1
SCHEMBL845038 0.72 TRPA1 (0.58) TRPA1ATMCNR1CNR2ALDH1A1
SCHEMBL11402559 0.71 TRPA1 (0.52) TRPA1ATMALDH1A1TSHRTDP1
SCHEMBL9250563 0.69 TSHR (0.57) TRPA1ATMALDH1A1TSHRTDP1
SCHEMBL224736 0.68 ALDH1A1 (0.62) TRPA1ATMALDH1A1TSHRTDP1
SCHEMBL980190 0.68 TSHR (0.52) CNR1CNR2ALDH1A1TSHRTDP1

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