SCHEMBL16709674

SCHEMBL16709674

CSc1ccc(Sc2ccc(COCC3CO3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 3/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
SLC6A4 P31645 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 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
SCHEMBL16709772 0.86 LMNA (0.48) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL16709673 0.82 TSHR (0.32) DRD4TSHRMAPK1CHRM2CHRM4
SCHEMBL731016 0.82 TSHR (0.48) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL16709771 0.81 LMNA (0.44) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL16709679 0.81 SLC6A4 (0.33) TSHRMAPK1CHRM2CHRM4CHRM5
SCHEMBL16709785 0.80 LMNA (0.40) DRD4LMNAALOX5TSHRCHRM2
Ethylene SCHEMBL28194681 0.78 ALDH1A1 (0.45) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL31140019 0.77 SMN1; SMN2 (0.44) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL21715829 0.77 SMN1; SMN2 (0.44) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9234674 0.77 AGXT (0.44) LMNATSHRMAPK1ALDH1A1SMN1; SMN2

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-2015068839-A1 POLYMERIZABLE COMPOUND, RESIN COMPOSITION USING SAME, CURED RESIN, AND OPTICAL MATERIAL 新日鉄住金化学株式会社 2015-05-14 WO disclosed