SCHEMBL8565413

SCHEMBL8565413

CCOC(=O)CCSP(=S)(OC(C)C)OC(C)C.Sc1nnc(S)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.33
HSD17B10 Q99714 3/20 0.33
ALOX15 P16050 2/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
TP53 P04637 1/20 0.32
HPGD P15428 5/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
GAA P10253 2/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31

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
SCHEMBL135547 0.86 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1TSHRMAPT
SCHEMBL18193185 0.79 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1TSHRHSD17B10
SCHEMBL18193232 0.79 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1TSHRHSD17B10
SCHEMBL17680101 0.79 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1TSHRHSD17B10
SCHEMBL17680098 0.79 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1TSHRMAPT
SCHEMBL17680080 0.75 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1TSHRMAPT
SCHEMBL16712187 0.73 DGKA (0.40) ALDH1A1MAPTLMNA
SCHEMBL18193187 0.72 ALDH1A1 (0.35) ALDH1A1TSHRMAPTHSD17B10ALOX15
SCHEMBL16886213 0.71 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1TSHRMAPT
SCHEMBL19253713 0.71 TSHR (0.43) ALDH1A1TDP1TSHRL3MBTL1GAA

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
EP-0856574-A2 Liquid polyfunctional additives for improved fuel lubricity Ciba SC Holding AG (CH) 1998-08-05 EP disclosed