SCHEMBL16709772

SCHEMBL16709772

c1ccc(Sc2ccc(Sc3ccc(COC[C@@H]4CO4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
TAAR1 Q96RJ0 1/20 0.41
MGLL Q99685 2/20 0.40
TSHR P16473 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL16709771 0.94 LMNA (0.44) LMNATDP1CHRM2CHRM4CHRM5
SCHEMBL16709785 0.87 LMNA (0.40) LMNATDP1CHRM2CHRM4CHRM5
SCHEMBL16709674 0.86 DRD4 (0.38) LMNATDP1CHRM2CHRM4CHRM5
SCHEMBL715660 0.85 LMNA (0.57) LMNATDP1TAAR1MGLLTSHR
SCHEMBL153049 0.85 LMNA (0.57) LMNATDP1TAAR1MGLLTSHR
SCHEMBL306297 0.85 LMNA (0.57) LMNATDP1TAAR1MGLLTSHR
SCHEMBL16993434 0.83 LMNA (0.55) LMNATDP1TAAR1MGLLTSHR
Water SCHEMBL8913477 0.83 LMNA (0.55) LMNATDP1TAAR1MGLLTSHR
Ammonia Solution, Strong SCHEMBL28849284 0.83 LMNA (0.55) LMNATDP1TAAR1MGLLTSHR
SCHEMBL731016 0.83 TSHR (0.48) LMNATDP1TAAR1MGLLTSHR

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