SCHEMBL8915722

SCHEMBL8915722

CCCCSNC(CS)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ACE P12821 2/20 0.41
▸ MME P08473 1/20 0.36
▸ FOLH1 Q04609 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ PLA2G2A P14555 2/20 0.33
▸ PLA2G5 P39877 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CA12 O43570 1/20 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
SCHEMBL6058015 1.00 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10896691 0.95 MAPT (0.43) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4319221 0.89 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4319218 0.89 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5003607 0.89 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL157552 0.81 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2597731 0.81 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2597732 0.81 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4309161 0.79 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4225527 0.79 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012094297-A1 AZUVIRIN PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-12 — — WO disclosed
US-5646255-A REACTION PRODUCT OF PROTEIN, SUCCINIMIDE DERIVATIVE AND TETRAPEPTIDE SEQUENCE OF VALINE-HISTIDINE-LEUCINE-THREONINE BOEHRINGER MANNHEIM GMBH (DE) 1997-07-08 — — US disclosed
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