SCHEMBL6674115

SCHEMBL6674115

COC(=O)C[C@H](N)C(=O)N(C)Cc1cc(C(=O)O)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
DPP4 P27487 2/20 0.36
RIPK1 Q13546 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
TAS2R14 Q9NYV8 2/20 0.34
WDR5 P61964 1/20 0.34
KCNA5 P22460 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LTA4H P09960 1/20 0.33
PTK2B Q14289 1/20 0.33

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
SCHEMBL6674119 1.00 LMNA (0.38) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL8178607 0.84 LPAR1 (0.37) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL8178611 0.84 LPAR1 (0.37) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL6958407 0.78 MRGPRX4 (0.37) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL6958416 0.78 MRGPRX4 (0.37) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL6954031 0.77 MEN1 (0.48) LMNAMEN1KMT2AALDH1A1
SCHEMBL6954036 0.77 MEN1 (0.48) LMNAMEN1KMT2AALDH1A1
SCHEMBL8330137 0.76 NAMPT (0.38) HTTDPP4KCNA5ALDH1A1
SCHEMBL8330140 0.76 NAMPT (0.38) HTTDPP4KCNA5ALDH1A1
Hydrochloric Acid SCHEMBL29690748 0.71 ALDH1A1 (0.59) LMNAMAPK1HTTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
EP-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed