SCHEMBL8498730

SCHEMBL8498730

CC[C@@H](N)NC(CS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ACE P12821 1/20 0.44
▸ PTGS1 P23219 2/20 0.41
▸ SLC7A11 Q9UPY5 1/20 0.41
▸ ENPEP Q07075 4/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ MME P08473 1/20 0.36
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ TGFBR1 P36897 1/20 0.34

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
SCHEMBL4996805 1.00 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7393926 1.00 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28557048 0.85 KDM4E (0.46) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1251586 0.82 TGFBR1 (0.48) MMESLC1A3SLC1A2SLC1A1TGFBR1
SCHEMBL29848957 0.81 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1428936 0.79 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL107698 0.79 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1157596 0.78 ACE (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4417602 0.78 ACE (0.50) KDM4EMAPTTHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL1574245 0.78 ACE (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977064-A CYCLIC TETRAPEPTIDE AS ANTICOAGULANT DIATIDE, INC. (US) 1999-11-02 — — US disclosed
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