SCHEMBL8073434

SCHEMBL8073434

CN[C@H](CS)C(=O)O.Clc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.45
MMP2 P08253 4/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
MMP9 P14780 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP13 P45452 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41

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
SCHEMBL8075762 0.85 ACE (0.44) ACEMMP2MMP9MMP1MMP3
SCHEMBL8073254 0.83 ACE (0.45) ACEMMP2MMP9MMP1MMP3
SCHEMBL120067 0.80
SCHEMBL8508454 0.80 KDM4E (0.60) ACEKDM4EMAPTTHRBALOX15
SCHEMBL28800589 0.80 KDM4E (0.60) ACEKDM4EMAPTTHRBALOX15
SCHEMBL120068 0.80
SCHEMBL110457 0.80
Chloroform SCHEMBL28222012 0.78 KDM4E (0.54) ACEKDM4EMAPTTHRBALOX15
Hydrochloric Acid SCHEMBL100539 0.78
Hydrochloric Acid SCHEMBL100538 0.78

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-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed