SCHEMBL8091005

SCHEMBL8091005

CCCCC(c1ccccc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
POLB P06746 2/20 0.47
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
MME P08473 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
CTSK P43235 1/20 0.39
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
HTR2A P28223 2/20 0.39
MAPT P10636 1/20 0.39
HRH1 P35367 1/20 0.38
AOC3 Q16853 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
SCHEMBL1132061 0.94 TAAR1 (0.53) TAAR1POLBPKMALDH1A1KDM4E
SCHEMBL3267049 0.92 TAAR1 (0.52) TAAR1POLBPKMALDH1A1SIGMAR1
SCHEMBL8159106 0.89 POLB (0.47) TAAR1POLBALDH1A1KDM4ESIGMAR1
SCHEMBL7511093 0.87 TAAR1 (0.59) TAAR1PKMHKDC1LMNAOPRM1
SCHEMBL7511084 0.87 TAAR1 (0.59) TAAR1PKMHKDC1LMNAOPRM1
SCHEMBL10831023 0.86 POLB (0.46) TAAR1POLBALDH1A1KDM4ESIGMAR1
SCHEMBL28168506 0.85 POLB (0.46) TAAR1POLBPKMALDH1A1KDM4E
SCHEMBL8040447 0.84 POLB (0.45) TAAR1POLBALDH1A1KDM4ESIGMAR1
SCHEMBL2353781 0.83 HKDC1 (0.52) TAAR1POLBALDH1A1KDM4ESIGMAR1
SCHEMBL24727385 0.82 HTR2A (0.48) TAAR1POLBPKMALDH1A1KDM4E

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-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed