SCHEMBL860176

SCHEMBL860176

COCCOC(=O)C(C)=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
THRB P10828 1/20 0.38
CHRM5 P08912 4/20 0.37
CHRM1 P11229 4/20 0.37
CHRM3 P20309 4/20 0.37
ALDH1A1 P00352 5/20 0.33
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
PGR P06401 1/20 0.33
HTR1A P08908 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33

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
SCHEMBL859851 0.94 THRB (0.42) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL6812522 0.92 THRB (0.41) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL12444527 0.84 THRB (0.45) TSHRTHRBCHRM5CHRM1CHRM3
Ethylene Glycol SCHEMBL1008646 0.83 THRB (0.39) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL27859554 0.82 TSHR (0.48) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL4675894 0.80 TSHR (0.43) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL3012356 0.80 TSHR (0.43) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL28417033 0.79 LPAR3 (0.39) THRBCHRM5CHRM1CHRM3
SCHEMBL958243 0.78 TSHR (0.39) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL129272 0.78 TSHR (0.42) TSHRTHRBCHRM5CHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8221957-B2 Planographic printing plate precursor and printing method using the same FUJIFILM CORPORATION (JP) 2012-07-17 US disclosed
US-8142983-B2 Lithographic printing plate precursor and method of lithographic printing FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed