SCHEMBL7445685

SCHEMBL7445685

N[C@@H](Cc1ccc(OC(=O)C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.65
SLC7A5 Q01650 4/20 0.58
GRB2 P62993 1/20 0.57
PTGS1 P23219 3/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
XIAP P98170 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
TPH1 P17752 2/20 0.47
ALOX15 P16050 3/20 0.46
HIF1A Q16665 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 1/20 0.46
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL5302819 0.88 PTPN1 (0.50) PTPN1SLC7A5GRB2PTGS1ALPI
SCHEMBL15294492 0.84 SLC7A5 (0.57) PTPN1SLC7A5GRB2PTGS1ALPI
SCHEMBL2930111 0.83 SLC7A5 (0.51) PTPN1SLC7A5GRB2PTGS1ALPI
SCHEMBL451772 0.82 SLC7A5 (0.62) PTPN1SLC7A5GRB2PTGS1ALPI
SCHEMBL23408849 0.82 SLC7A5 (0.51) PTPN1SLC7A5GRB2PTGS1ALPI
SCHEMBL3952354 0.82 PTPN1 (0.43) PTPN1SLC7A5GRB2
SCHEMBL1802026 0.81 PTPN1 (0.78) PTPN1SLC7A5GRB2PTGS1ALPI
SCHEMBL1802025 0.81 PTPN1 (0.78) PTPN1SLC7A5GRB2PTGS1ALPI
SCHEMBL18256435 0.81 PTPN1 (0.78) PTPN1SLC7A5GRB2PTGS1ALPI
SCHEMBL22645606 0.81 SLC7A5 (0.61) PTPN1SLC7A5GRB2PTGS1ALPI

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed