SCHEMBL6253538

SCHEMBL6253538

O=C(NC(CS)C(=O)NC(CO)C(=O)O)C(O)CO

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.49
MME P08473 6/20 0.48
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
TGFBR1 P36897 3/20 0.43
OR51E2 Q9H255 1/20 0.40
FOLH1 Q04609 1/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTGS1 P23219 1/20 0.34
GSTK1 Q9Y2Q3 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
SCHEMBL2633846 0.98 ACE (0.47) ACEMMEKDM4EMAPTTHRB
SCHEMBL4363673 0.91 ACE (0.58) ACEMMEKDM4EMAPTTHRB
SCHEMBL8216927 0.91 ACE (0.58) ACEMMEKDM4EMAPTTHRB
SCHEMBL321602 0.91 ACE (0.58) ACEMMEKDM4EMAPTTHRB
SCHEMBL6009831 0.89 TGFBR1 (0.52) ACEMMETGFBR1OR51E2FOLH1
SCHEMBL7070376 0.89 TGFBR1 (0.52) ACEMMETGFBR1OR51E2FOLH1
SCHEMBL5424761 0.82 KDM4E (0.69) ACEMMEKDM4EMAPTTHRB
SCHEMBL29569220 0.79 ACE (0.54) ACEMMEKDM4EMAPTTHRB
SCHEMBL30945534 0.78 ACE (0.45) ACEMMEKDM4EMAPTTHRB
SCHEMBL5967479 0.78 ACE (0.45) ACEMMEKDM4EMAPTTHRB

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
WO-2005056572-A2 CLUSTERED MULTI-ANTIGENIC CARBOHYDRATE CONSTRUCTS, METHODS FOR THEIR PREPARATION AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2005-06-23 WO disclosed