SCHEMBL9577014

SCHEMBL9577014

C=C(C)CCc1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
FFAR1 O14842 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
PLAAT3 P53816 2/20 0.41
PLAAT5 Q96KN8 2/20 0.41
PLAAT2 Q9NWW9 2/20 0.41
PLAAT4 Q9UL19 2/20 0.41
IDO1 P14902 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL9192384 0.94 CYP1A2 (0.43) CYP1A2CYP2A6TAAR1FFAR1TDP1
SCHEMBL18974000 0.87 FFAR1 (0.39) CYP1A2CYP2A6TAAR1FFAR1TDP1
SCHEMBL19047437 0.82 FFAR1 (0.52) CYP1A2CYP2A6TAAR1FFAR1TDP1
SCHEMBL10909669 0.82 ESR1 (0.56) CYP1A2TAAR1TDP1L3MBTL1IGF1R
SCHEMBL19217738 0.82 LPL (0.48) FFAR1L3MBTL1ALDH1A1
SCHEMBL19321709 0.82 CYP1A2 (0.48) CYP1A2CYP2A6TAAR1FFAR1TDP1
SCHEMBL12327373 0.80 AOC3 (0.47) TAAR1FFAR1SLC5A1SLC5A2
SCHEMBL18657166 0.80 GFER (0.54) FFAR1TDP1ALDH1A1
SCHEMBL2163306 0.79 ALDH1A1 (0.61) FFAR1TDP1ALDH1A1
SCHEMBL4273320 0.78 CYP1A2 (0.45) CYP1A2CYP2A6TAAR1FFAR1TDP1

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
WO-2022117670-A1 METHOD FOR PRODUCING FRAMBINONE RHODIA OPERATIONS (FR) 2022-06-09 WO disclosed
EP-0362507-B1 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL CO (JP) 1993-12-08 EP disclosed
US-5008479-A Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-04-16 US disclosed
EP-0362507-A2 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-04-11 EP disclosed