SCHEMBL4353074

SCHEMBL4353074

[c]1ccc(OC2CC[CH]CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.39
HRH1 P35367 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HRH3 Q9Y5N1 5/20 0.33
FURIN P09958 2/20 0.33
HPGD P15428 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
SLC6A4 P31645 2/20 0.30
FFAR1 O14842 1/20 0.30
ALOX12 P18054 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL231982 0.86 PARP10 (0.48) PARP10HRH1ALDH1A1TSHRHRH3
SCHEMBL21281 0.86 PARP10 (0.44) PARP10HRH1ALDH1A1TSHRHRH3
SCHEMBL4358421 0.85 PARP10 (0.37) PARP10HRH1ALDH1A1TSHRHRH3
SCHEMBL22392 0.84 PARP10 (0.43) PARP10HRH1ALDH1A1TSHRHRH3
SCHEMBL676960 0.84 PARP10 (0.43) PARP10HRH1ALDH1A1TSHRHRH3
SCHEMBL2924302 0.84 PARP10 (0.43) PARP10HRH1ALDH1A1TSHRHRH3
SCHEMBL6530561 0.83 JAK2 (0.33) PARP10SLC6A4SLC6A2SLC6A3
SCHEMBL27560412 0.82 PARP10 (0.42) PARP10HRH1ALDH1A1TSHRHRH3
SCHEMBL333383 0.82 HRH1 (0.43) PARP10HRH1ALDH1A1TSHRHRH3
SCHEMBL4361213 0.80 HRH1 (0.35) PARP10HRH1SLC6A4SLC6A2SLC6A3

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-2009142094-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-26 WO disclosed