SCHEMBL8727416

SCHEMBL8727416

SC(CCI)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2A P28223 5/20 0.37
TAAR1 Q96RJ0 1/20 0.37
DPP4 P27487 2/20 0.35
F2 P00734 1/20 0.35
TSHR P16473 1/20 0.35
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
GRM7 Q14831 1/20 0.34

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
SCHEMBL8443421 0.85 HRH1 (0.46) HRH1HTR2ATAAR1DPP4F2
SCHEMBL10700271 0.79 HTR2A (0.43) HRH1ALOX15HTR2ATAAR1DPP4
SCHEMBL2583835 0.77 HRH1 (0.56) HRH1ALDH1A1HPGDALOX15ALOX12
SCHEMBL28721296 0.76 HRH1 (0.39) HRH1ALDH1A1HTR2ATAAR1DPP4
SCHEMBL4575359 0.76 AOC3 (0.46) HRH1HTR2ATAAR1
SCHEMBL3203278 0.76 TRPA1 (0.48) HRH1ALDH1A1HTR2ATAAR1
SCHEMBL29003464 0.76 HRH1 (0.40) HRH1HTR2ATAAR1DPP4F2
SCHEMBL28719628 0.76 TSHR (0.40) HRH1HTR2ATAAR1DPP4F2
SCHEMBL3919544 0.76 AOC3 (0.46) HRH1HTR2ATAAR1
SCHEMBL17008844 0.73 HRH1 (0.41) HRH1ALDH1A1HPGDALOX15ALOX12

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
WO-1998058246-A2 IMPROVEMENTS IN AND RELATING TO COMPOUNDS, SENSORS AND EXTRACTANTS BRITISH NUCLEAR FUELS PLC (GB) 1998-12-23 WO disclosed