SCHEMBL16715946

SCHEMBL16715946

CCc1ccc(COCC2CO2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 9/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 5/20 0.39
MAPK1 P28482 2/20 0.39
GLA P06280 1/20 0.38
TP53 P04637 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL12017369 0.91 TSHR (0.45) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL23509547 0.91 TSHR (0.45) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL20080451 0.91 TSHR (0.45) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL12017373 0.86 TSHR (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL20080513 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16715745 0.83 TSHR (0.42) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL22446673 0.79 NPC1 (0.37) SMN1; SMN2ALDH1A1TDP1MAPK1MAPT
SCHEMBL10261290 0.79 CYP2D6 (0.36) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL12017374 0.79 TSHR (0.43) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL9509423 0.78 TSHR (0.35) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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
US-9035018-B2 Furan-based curable compound derived from biomass, solvent-free curable composition, and method for preparing same KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-05-19 US disclosed