SCHEMBL4319218

SCHEMBL4319218

CCCSNC(CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ACE P12821 4/20 0.43
▸ FOLH1 Q04609 1/20 0.37
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MME P08473 2/20 0.33

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
SCHEMBL5003607 1.00 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4319221 1.00 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6058015 0.89 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8915722 0.89 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10896691 0.87 MAPT (0.43) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL157552 0.84 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2597732 0.84 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2597731 0.84 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4309161 0.82 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4225527 0.82 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1

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
CN-118510484-A Polyhydroxyalkanoate copolymer with acetoacetate group, composition containing same and cosmetic use thereof 莱雅公司 2024-08-16 — — CN disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 — — EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 — — WO disclosed
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