SCHEMBL9749094

SCHEMBL9749094

O=C(O)CCC(CSc1cscn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 14/20 0.41
CPA3 P15088 1/20 0.39
GRM3 Q14832 2/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35

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
SCHEMBL9749243 0.85 CPA1 (0.36) FOLH1CPA3
SCHEMBL9750233 0.80 KDM4E (0.40)
SCHEMBL9749609 0.73 KDM4E (0.38) FOLH1CPA3GRM3
SCHEMBL9814887 0.66 FOLH1 (0.61) FOLH1GRM3NAALAD2
SCHEMBL7053102 0.64 CPA3 (0.63) FOLH1CPA3NAALAD2
SCHEMBL108166 0.63 FOLH1 (0.76) FOLH1GRM3NAALAD2
SCHEMBL9558884 0.63 PLA2G2A (0.49) CPA3
SCHEMBL9645833 0.63 EGFR (0.43) FOLH1CPA3
SCHEMBL9645139 0.63 CPA3 (0.42) FOLH1CPA3
SCHEMBL7289773 0.62 CPA1 (0.46) FOLH1CPA3

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