SCHEMBL9680135

SCHEMBL9680135

C=Cc1cc(CC)cc2ccccc12.C=Cc1ccc(C)c2c(C)cccc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2A6 P11509 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GAA P10253 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
SCHEMBL1058699 0.85 CYP1A2 (0.46) HTR6CYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL29637865 0.78 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL943891 0.78 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL7714016 0.75 MAPT (0.36) HTR6CYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL4521095 0.74 CYP1A2 (0.48) HTR6CYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL5034581 0.73 GAA (0.37) HTR6CYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL10700831 0.73 HTR6 (0.35) HTR6CYP1A2CYP2A6
SCHEMBL10384829 0.72 PTGS1 (0.39) CYP1A2CYP2A6PTGS1PTGS2GAA
SCHEMBL3267425 0.70 CYP1A2 (0.46) HTR6CYP1A2CYP2A6ALDH1A1GAA
SCHEMBL4590405 0.70 TSHR (0.35) CYP1A2ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476640-A1 High performance tire treads and tires Bridgestone Corporation (JP) 1992-03-25 EP disclosed
EP-0476665-A1 Oil extended ultra high molecular weight elastomers BRIDGESTONE CORPORATION (JP) 1992-03-25 EP disclosed
EP-0476641-A1 Ultra high molecular weight elastomer composition BRIDGESTONE CORPORATION (JP) 1992-03-25 EP disclosed
EP-0476662-A1 Ultra high molecular weight copolymers of conjugated dienes and aromatic vinyl compounds BRIDGESTONE/FIRESTONE, INC. (US) 1992-03-25 EP disclosed