SCHEMBL8977524

SCHEMBL8977524

CCc1ccc(C[C@@H](N)C(=O)O)cc1.CCc1ccc(C[C@H](N)C(=O)O)cc1.COc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.63
TPH1 P17752 5/20 0.60
SLC7A5 Q01650 3/20 0.56
PTPN1 P18031 1/20 0.55
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
SLC6A4 P31645 1/20 0.53
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KIF11 P52732 1/20 0.48

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
SCHEMBL8977526 1.00 LDHA (0.63) LDHATPH1SLC7A5PTPN1ALPI
SCHEMBL9845399 0.94 LDHA (0.56) LDHATPH1SLC7A5PTPN1ALPI
SCHEMBL9845403 0.94 LDHA (0.56) LDHATPH1SLC7A5PTPN1ALPI
SCHEMBL158667 0.94 LDHA (0.71) LDHATPH1SLC7A5PTPN1ALPI
SCHEMBL126195 0.94 LDHA (0.71) LDHATPH1SLC7A5PTPN1ALPI
SCHEMBL597743 0.94 LDHA (0.71) LDHATPH1SLC7A5PTPN1ALPI
Hydrochloric Acid SCHEMBL16446949 0.92 LDHA (0.69) LDHATPH1SLC7A5PTPN1ALPI
Hydrochloric Acid SCHEMBL6434789 0.92 LDHA (0.69) LDHATPH1SLC7A5PTPN1ALPI
Hydrochloric Acid SCHEMBL6434786 0.92 LDHA (0.69) LDHATPH1SLC7A5PTPN1ALPI
SCHEMBL6168594 0.89 TPH1 (0.68) LDHATPH1SLC7A5PTPN1ALPI

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-5486596-A CYCLIC PEPTIDES CESKOSLOVENSKA AKADEMIE VED (CS) 1996-01-23 US claimed