SCHEMBL9749075

SCHEMBL9749075

CC(Sc1nc(C(C)C(=O)O)cs1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
PPARA Q07869 9/20 0.43
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PRNP P04156 1/20 0.39
MAPK10 P53779 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL9750226 0.81 KDM4E (0.45) KDM4ELMNAPPARAALDH1A1NPSR1
SCHEMBL14156190 0.81 SMN1; SMN2 (0.53) KDM4ELMNAPPARAALDH1A1NPSR1
SCHEMBL9749267 0.78 SMN1; SMN2 (0.44) LMNAALDH1A1SMN1; SMN2
SCHEMBL14156102 0.76 GABRA5 (0.49) KDM4ELMNAPPARAALDH1A1HSD17B10
SCHEMBL29285032 0.73 HDAC3 (0.36) KDM4ELMNAPPARAALDH1A1RXFP1
SCHEMBL24917646 0.72 SHMT1 (0.37) KDM4ELMNAPPARAALDH1A1RXFP1
SCHEMBL1565803 0.72 HSD17B10 (0.46) KDM4ELMNAALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL1758691 0.70 HSD17B10 (0.44) KDM4ELMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL18099911 0.69 PIK3CD (0.32) KDM4ELMNAALDH1A1RXFP1
SCHEMBL10691578 0.69 ALDH1A1 (0.63) KDM4ELMNAPPARAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194572-B1 HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
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