SCHEMBL9010959

SCHEMBL9010959

CC=CCCc1cccc(C)c1.CC=CCCc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.44
TAAR1 Q96RJ0 3/20 0.44
IDO1 P14902 2/20 0.42
GAA P10253 1/20 0.42
HRH3 Q9Y5N1 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DAO P14920 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9011193 0.87 TAAR1 (0.55) GPR52TAAR1IDO1HRH3GPR84
SCHEMBL4431759 0.87 TAAR1 (0.55) GPR52TAAR1IDO1HRH3GPR84
SCHEMBL4431762 0.87 TAAR1 (0.55) GPR52TAAR1IDO1HRH3GPR84
SCHEMBL1876703 0.84 TAAR1 (0.57) GPR52TAAR1GPR84CA12CA1
SCHEMBL9010966 0.84 TAAR1 (0.57) GPR52TAAR1GPR84CA12CA1
SCHEMBL1876701 0.84 TAAR1 (0.57) GPR52TAAR1GPR84CA12CA1
SCHEMBL30035347 0.84 TAAR1 (0.57) GPR52TAAR1GPR84CA12CA1
SCHEMBL9010942 0.83 TAAR1 (0.46) GPR52TAAR1CA12CA1CA2
SCHEMBL9010941 0.81 TAAR1 (0.49) GPR52TAAR1IDO1HRH3GPR84
SCHEMBL16191137 0.81 TAAR1 (0.55) TAAR1IDO1GAAHRH3GPR84

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