SCHEMBL16709689

SCHEMBL16709689

CC(OCC1CO1)c1ccc(Sc2ccc3ccccc3c2)cc1Sc1ccc2ccccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
GLA P06280 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL16709687 0.91 CHRM2 (0.39) ALDH1A1TDP1CYP3A4SMN1; SMN2TP53
SCHEMBL16709765 0.84 TDP1 (0.37) ALDH1A1POLBL3MBTL1TDP1CYP3A4
SCHEMBL16709688 0.75 ALDH1A1 (0.39) ALDH1A1POLBL3MBTL1TDP1CYP3A4
SCHEMBL16709691 0.75 TDP1 (0.37) ALDH1A1POLBL3MBTL1TDP1CYP3A4
SCHEMBL16709774 0.72 CHRM2 (0.44) ALDH1A1TDP1CYP3A4SMN1; SMN2TP53
SCHEMBL16709785 0.70 LMNA (0.40) ALDH1A1POLBL3MBTL1TDP1CYP3A4
SCHEMBL4610991 0.70 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4SMN1; SMN2TP53
SCHEMBL4610998 0.70 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4SMN1; SMN2TP53
SCHEMBL5183794 0.69 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4SMN1; SMN2TP53
SCHEMBL16709702 0.68 EPHX1 (0.39) ALDH1A1TDP1CYP3A4SMN1; SMN2TP53

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