SCHEMBL10885272

SCHEMBL10885272

CC(=O)OCCSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
ALDH1A1 P00352 3/20 0.63
MAPK1 P28482 2/20 0.63
TSHR P16473 1/20 0.63
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
FKBP1A P62942 2/20 0.39
TP53 P04637 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 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
SCHEMBL10890284 0.89 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3
SCHEMBL10885880 0.89 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3
SCHEMBL10883782 0.89 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3
SCHEMBL9839376 0.86 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3
SCHEMBL10889877 0.86 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3
SCHEMBL24141689 0.86 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3
SCHEMBL10886297 0.86 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3
SCHEMBL278825 0.86 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3
SCHEMBL10887672 0.86 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3
SCHEMBL12677539 0.85 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3

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-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed