SCHEMBL11092602

SCHEMBL11092602

COC(=O)c1ccccc1SN(Sc1ccccc1C(=O)OC)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 3/20 0.50
CFTR P13569 1/20 0.50
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ATM Q13315 1/20 0.45
PKLR P30613 1/20 0.44
HPGD P15428 2/20 0.43
KMT2A Q03164 3/20 0.42
ALOX15 P16050 1/20 0.41
MYC P01106 1/20 0.41

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
SCHEMBL11092090 0.85 HSD17B10 (0.54) HSD17B10POLBALDH1A1CFTRTSHR
SCHEMBL11087116 0.81 HSD17B10 (0.50) HSD17B10POLBALDH1A1CFTRTSHR
SCHEMBL7754027 0.79 HSD17B10 (0.62) HSD17B10POLBALDH1A1CFTRTSHR
SCHEMBL30096217 0.77 POLB (0.64) HSD17B10POLBALDH1A1CFTRTSHR
SCHEMBL756511 0.77 POLB (0.64) HSD17B10POLBALDH1A1CFTRTSHR
SCHEMBL4440485 0.77 HSD17B10 (0.64) HSD17B10POLBALDH1A1CFTRTSHR
SCHEMBL647041 0.75 TSHR (0.71) HSD17B10POLBALDH1A1CFTRTSHR
SCHEMBL11092178 0.75 HSD17B10 (0.54) HSD17B10POLBALDH1A1CFTRTSHR
SCHEMBL11091475 0.75 HSD17B10 (0.50) HSD17B10POLBALDH1A1CFTRTSHR
SCHEMBL8624849 0.74 HSD17B10 (0.60) HSD17B10POLBALDH1A1CFTRTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4469874-A ALKYL THIOSALICYLATES MONSANTO COMPANY (US) 1984-09-04 US disclosed
US-4283508-A Fragrant prevulcanization inhibitors MONSANTO COMPANY (US) 1981-08-11 US disclosed