SCHEMBL30307384

SCHEMBL30307384

CC(CC1=CCc2ccccc21)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
TAAR1 Q96RJ0 3/20 0.40
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
NISCH Q9Y2I1 3/20 0.40
AOC3 Q16853 2/20 0.37
TRPA1 O75762 2/20 0.36
RIPK1 Q13546 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
SCHEMBL20996644 1.00 HTR6 (0.44) HTR6TAAR1MAOAMAOBNISCH
SCHEMBL30307365 0.79 MAOA (0.35) TAAR1MAOAMAOBNISCHAOC3
SCHEMBL20996632 0.79 MAOA (0.35) TAAR1MAOAMAOBNISCHAOC3
SCHEMBL30307381 0.79 MAOA (0.35) TAAR1MAOAMAOBNISCHAOC3
SCHEMBL16884603 0.78 HTR6 (0.42) HTR6
SCHEMBL15030997 0.78 HTR6 (0.42) HTR6
SCHEMBL1436920 0.77 CHRM2 (0.43) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL25453849 0.77 HTR6 (0.44) HTR6TAAR1
SCHEMBL23073839 0.77 HTR6 (0.44) HTR6
SCHEMBL8380353 0.75 HTR6 (0.45) HTR6ALDH1A1

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
CN-111406078-B Catalyst for preparing polyethylene with broad bimodal molecular weight distribution 埃克森美孚化学专利公司 2023-03-10 CN disclosed