SCHEMBL7960935

SCHEMBL7960935

CCOC(=O)[C@H](N)Cc1ccc(C[C@@H](N)C(=O)OCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
MMP8 P22894 1/20 0.46
TPH1 P17752 3/20 0.46
CPB2 Q96IY4 1/20 0.43
PTPN1 P18031 1/20 0.41
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CSK P41240 1/20 0.41
GRB2 P62993 1/20 0.41
PIN1 Q13526 1/20 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
SCHEMBL21117856 0.94 SLC7A5 (0.44) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL20543461 0.94 SLC7A5 (0.44) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9967935 0.94 SLC7A5 (0.44) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL14139328 0.94 SLC7A5 (0.44) SLC7A5ALPIPKMPTGS1XIAP
L-Tyrosine Ethylester SCHEMBL9327871 0.93 SLC7A5 (0.61) SLC7A5TPH1
SCHEMBL1070138 0.93 LMNA (0.51) SLC7A5ALPIPKMPTGS1XIAP
L-Tyrosine Ethylester SCHEMBL242947 0.93 SLC7A5 (0.61) SLC7A5TPH1
L-Tyrosine Ethylester SCHEMBL242946 0.93 SLC7A5 (0.61) SLC7A5TPH1
SCHEMBL839736 0.91 PPARG (0.51) SLC7A5MMP8TPH1EPHX2PPARG
SCHEMBL21117877 0.91 EPHX2 (0.51) EPHX2PPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197793-B1 VIRICIDES, BACTERICIDES, FUNGICIDES SMITHKLINE BEECHAM CORPORATION 2001-03-06 US disclosed
US-6030989-A Hemoregulatory compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-02-29 US disclosed
EP-0861078-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-03-17 EP disclosed
EP-0861029-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-02-17 EP disclosed
EP-0861029-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-02 EP disclosed
EP-0861078-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-02 EP disclosed
WO-1997017965-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO disclosed
WO-1997017850-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO disclosed