SCHEMBL9750226

SCHEMBL9750226

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PPARA Q07869 9/20 0.43
ALDH1A1 P00352 3/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
PRNP P04156 1/20 0.40
MAPK10 P53779 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL14156190 0.83 SMN1; SMN2 (0.53) KDM4ELMNAL3MBTL1PPARAALDH1A1
SCHEMBL9749075 0.81 KDM4E (0.44) KDM4ELMNAPPARAALDH1A1CSNK2A2
SCHEMBL9749238 0.79 HTT (0.46) L3MBTL1PPARAALDH1A1PRKAG1PRKAA2
SCHEMBL14156102 0.78 GABRA5 (0.49) KDM4ELMNAPPARAALDH1A1HSD17B10
SCHEMBL3114211 0.76 L3MBTL1 (0.50) KDM4EL3MBTL1ALDH1A1PRKAG1PRKAA2
SCHEMBL9749240 0.76 L3MBTL1 (0.41) LMNAL3MBTL1ALDH1A1PRKAG1PRKAA2
SCHEMBL6825656 0.75 L3MBTL1 (0.48) KDM4EL3MBTL1ALDH1A1PRKAG1PRKAA2
SCHEMBL9481442 0.72 L3MBTL1 (0.46) KDM4EL3MBTL1ALDH1A1PRKAG1PRKAA2
SCHEMBL14805662 0.71 L3MBTL1 (0.46) KDM4EL3MBTL1ALDH1A1PRKAG1PRKAA2
SCHEMBL12964364 0.71 PLA2G4A (0.46) KDM4ELMNAL3MBTL1ALDH1A1PRKAG1

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