SCHEMBL8167452

SCHEMBL8167452

CC(C)(C(=O)c1ccc(SCCCCS)cc1)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.63
MAPK1 P28482 2/20 0.63
ALDH1A1 P00352 2/20 0.63
TSHR P16473 1/20 0.63
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.43
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
THRB P10828 3/20 0.38
THRA P10827 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 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
SCHEMBL8168732 0.99 SMN1; SMN2 (0.62) SMN1; SMN2MAPK1ALDH1A1TSHRHRH3
SCHEMBL2690853 0.99 SMN1; SMN2 (0.62) SMN1; SMN2MAPK1ALDH1A1TSHRHRH3
SCHEMBL5822546 0.96 SMN1; SMN2 (0.64) SMN1; SMN2MAPK1ALDH1A1TSHRHRH3
SCHEMBL278825 0.94 SMN1; SMN2 (0.71) SMN1; SMN2MAPK1ALDH1A1TSHRHRH3
SCHEMBL8182160 0.93 SMN1; SMN2 (0.60) SMN1; SMN2MAPK1ALDH1A1TSHRHRH3
SCHEMBL8175957 0.91 SMN1; SMN2 (0.67) SMN1; SMN2MAPK1ALDH1A1TSHRHRH3
SCHEMBL10649119 0.89 SMN1; SMN2 (0.64) SMN1; SMN2MAPK1ALDH1A1TSHRHRH3
SCHEMBL10883782 0.89 SMN1; SMN2 (0.74) SMN1; SMN2MAPK1ALDH1A1TSHRHRH3
SCHEMBL10885407 0.88 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1ALDH1A1TSHRHRH3
SCHEMBL9679909 0.88 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1ALDH1A1TSHRHRH3

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-6022906-A α-aminoacetophenone photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-08 US disclosed