SCHEMBL9749238

SCHEMBL9749238

CCC(Sc1nc(C(=O)O)cs1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
POLB P06746 3/20 0.44
PLA2G4A P47712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.39
PPARA Q07869 2/20 0.38
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
PPARG P37231 2/20 0.38
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37

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 0.79 KDM4E (0.45) L3MBTL1ALDH1A1PPARAPRKAG1PRKAA2
SCHEMBL12964364 0.75 PLA2G4A (0.46) PLA2G4AL3MBTL1ALDH1A1PRKAG1PRKAA2
SCHEMBL12964413 0.72 PLA2G4A (0.48) PLA2G4AL3MBTL1ALDH1A1
SCHEMBL3114211 0.72 L3MBTL1 (0.50) POLBPLA2G4AL3MBTL1ALDH1A1GAA
SCHEMBL9749240 0.72 L3MBTL1 (0.41) PLA2G4AL3MBTL1ALDH1A1PRKAG1PRKAA2
SCHEMBL6825656 0.72 L3MBTL1 (0.48) PLA2G4AL3MBTL1ALDH1A1PRKAG1PRKAA2
SCHEMBL9749369 0.71 ALDH1A1 (0.44) HTTPOLBALDH1A1GAAPPARA
SCHEMBL1246147 0.70 PLA2G4A (0.45) POLBPLA2G4AL3MBTL1ALDH1A1
SCHEMBL16503358 0.69 PLA2G4A (0.44) POLBPLA2G4AL3MBTL1ALDH1A1
SCHEMBL16503356 0.69 PLA2G4A (0.44) POLBPLA2G4AL3MBTL1ALDH1A1

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