SCHEMBL10885231

SCHEMBL10885231

COCC(C)(C(=O)c1ccc(SC)cc1)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
MAPK1 P28482 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
TSHR P16473 1/20 0.68
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 2/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MGLL Q99685 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
PAX8 Q06710 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
SCHEMBL96864 0.86 ALDH1A1 (0.73) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL4817677 0.85 ALDH1A1 (0.71) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL8632822 0.85 ALDH1A1 (0.71) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL10383859 0.85 ALDH1A1 (0.71) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL10885844 0.84 ALDH1A1 (0.70) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL28563314 0.84 ALDH1A1 (0.70) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL22444357 0.82 ALDH1A1 (0.67) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL6051821 0.82 ALDH1A1 (0.67) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL8896884 0.82 ALDH1A1 (0.67) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL27554 0.82 ALDH1A1 (1.00) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3

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