SCHEMBL9011193

SCHEMBL9011193

CC=CCCc1cccc(C)c1.CC=CCCc1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
GPR52 Q9Y2T5 1/20 0.49
IDO1 P14902 2/20 0.48
HRH3 Q9Y5N1 3/20 0.46
GPR84 Q9NQS5 1/20 0.43
DAO P14920 3/20 0.41
ACHE P22303 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL4431759 1.00 TAAR1 (0.55) TAAR1GPR52IDO1HRH3GPR84
SCHEMBL4431762 1.00 TAAR1 (0.55) TAAR1GPR52IDO1HRH3GPR84
SCHEMBL9010941 0.93 TAAR1 (0.49) TAAR1GPR52IDO1HRH3GPR84
SCHEMBL30242341 0.89 TAAR1 (0.52) TAAR1GPR52IDO1HRH3GPR84
SCHEMBL9010959 0.87 GPR52 (0.44) TAAR1GPR52IDO1HRH3GPR84
SCHEMBL1985498 0.84 TAAR1 (0.59) TAAR1GPR52IDO1HRH3GPR84
SCHEMBL1082483 0.83 TAAR1 (0.53) TAAR1GPR52IDO1HRH3GPR84
SCHEMBL106719 0.83 TAAR1 (0.53) TAAR1GPR52IDO1HRH3GPR84
SCHEMBL28686625 0.83 TAAR1 (0.53) TAAR1GPR52IDO1HRH3GPR84
SCHEMBL4635536 0.80 TAAR1 (0.50) TAAR1GPR52IDO1HRH3GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554704-B1 Process for producing dimethyl naphthalene MITSUBISHI GAS CHEMICAL CO (JP) 1996-11-13 EP claimed