SCHEMBL10691578

SCHEMBL10691578

CC(Sc1nnc(SC(C)C(=O)O)s1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HSD17B10 Q99714 1/20 0.52
PPARA Q07869 9/20 0.46
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
APEX1 P27695 1/20 0.39

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
SCHEMBL11798204 0.88 LMNA (0.52) ALDH1A1HSD17B10PPARALMNAKDM4E
SCHEMBL1959315 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10PPARALMNAKDM4E
SCHEMBL8629181 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10PPARALMNAKDM4E
SCHEMBL14583501 0.72 ALDH1A1 (0.87) ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL9749529 0.72 ALDH1A1 (0.47) ALDH1A1HSD17B10PPARALMNAKDM4E
SCHEMBL9750226 0.70 KDM4E (0.45) ALDH1A1HSD17B10PPARALMNAKDM4E
SCHEMBL9834413 0.69 ALDH1A1 (0.61) ALDH1A1PPARALMNAKDM4ESMN1; SMN2
SCHEMBL9749075 0.69 KDM4E (0.44) ALDH1A1HSD17B10PPARALMNAKDM4E
SCHEMBL5717590 0.67 ALDH1A1 (1.00) ALDH1A1HSD17B10LMNAKDM4ESMN1; SMN2
SCHEMBL8857767 0.67 ALDH1A1 (0.45) ALDH1A1HSD17B10SMN1; SMN2

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-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0194572-A1 Heterocyclic sulfides, process for their preparation and Medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP disclosed