SCHEMBL10888317

SCHEMBL10888317

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.40
RAB9A P51151 3/20 0.40
FKBP1A P62942 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL727028 0.89 SMN1; SMN2 (0.69) SMN1; SMN2MAPK1ALDH1A1TSHRLMNA
SCHEMBL8898638 0.88 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1ALDH1A1TSHRLMNA
SCHEMBL10886512 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1ALDH1A1TSHRLMNA
SCHEMBL10887161 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1ALDH1A1TSHRLMNA
SCHEMBL10883782 0.82 SMN1; SMN2 (0.74) SMN1; SMN2MAPK1ALDH1A1TSHRLMNA
SCHEMBL10886140 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1ALDH1A1TSHRLMNA
SCHEMBL278825 0.80 SMN1; SMN2 (0.71) SMN1; SMN2MAPK1ALDH1A1TSHRLMNA
SCHEMBL9679911 0.79 ALDH1A1 (0.54) SMN1; SMN2MAPK1ALDH1A1TSHRLMNA
SCHEMBL10887683 0.79 SMN1; SMN2 (0.69) SMN1; SMN2MAPK1ALDH1A1TSHRLMNA
SCHEMBL17324198 0.79 SMN1; SMN2 (0.69) SMN1; SMN2MAPK1ALDH1A1TSHRLMNA

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