SCHEMBL8089685

SCHEMBL8089685

CCCC(c1ccccc1)C(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.43
TAAR1 Q96RJ0 3/20 0.42
HKDC1 Q2TB90 1/20 0.40
LMNA P02545 1/20 0.40
HRH1 P35367 5/20 0.38
HTR2A P28223 4/20 0.38
SIGMAR1 Q99720 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
RIPK1 Q13546 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
SCHEMBL8157573 0.86 AOC3 (0.48) AOC3TAAR1HKDC1LMNAHRH1
SCHEMBL8097069 0.82 HKDC1 (0.52) AOC3TAAR1HKDC1LMNAHRH1
SCHEMBL9843786 0.80 HKDC1 (0.55) AOC3TAAR1HKDC1LMNAHRH1
SCHEMBL7511084 0.80 TAAR1 (0.59) AOC3TAAR1HKDC1LMNAHRH1
SCHEMBL7511093 0.80 TAAR1 (0.59) AOC3TAAR1HKDC1LMNAHRH1
SCHEMBL10831187 0.78 TAAR1 (0.47) AOC3TAAR1HKDC1LMNAHRH1
SCHEMBL2464535 0.78 TAAR1 (0.47) AOC3TAAR1HKDC1LMNAHRH1
SCHEMBL8089654 0.78 AOC3 (0.43) AOC3TAAR1HKDC1LMNAHRH1
SCHEMBL14767588 0.77 AOC3 (0.46) AOC3TAAR1LMNAHRH1HTR2A
SCHEMBL844607 0.77 AOC3 (0.46) AOC3TAAR1LMNAHRH1HTR2A

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