SCHEMBL9749609

SCHEMBL9749609

Cc1ncsc1SCC(CCC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
FOLH1 Q04609 9/20 0.38
CPA3 P15088 1/20 0.38
GRM3 Q14832 2/20 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
SCHEMBL9749382 0.86 KDM4E (0.40) KDM4EPKMFOLH1CPA3
SCHEMBL9749540 0.81 KDM4E (0.46) KDM4EPKM
SCHEMBL9749094 0.73 FOLH1 (0.41) FOLH1CPA3GRM3
SCHEMBL9814887 0.69 FOLH1 (0.61) FOLH1GRM3
SCHEMBL9645833 0.68 EGFR (0.43) FOLH1CPA3
SCHEMBL1074418 0.67 ALDH1A1 (0.56) KDM4EPKM
SCHEMBL21985480 0.66
SCHEMBL7779172 0.65 ALDH1A1 (0.53) KDM4EPKM
SCHEMBL9814843 0.63 CPB2 (0.59) FOLH1GRM3
SCHEMBL9305760 0.63 KMT2A (0.54)

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
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