SCHEMBL8178607

SCHEMBL8178607

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.37
LPAR5 Q9H1C0 8/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
DPP4 P27487 2/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
PLA2G2D Q9UNK4 1/20 0.31
KCNA5 P22460 1/20 0.31

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
SCHEMBL8178611 1.00 LPAR1 (0.37) LPAR1LPAR5MRGPRX4LMNAMAPK1
SCHEMBL6674119 0.84 LMNA (0.38) LPAR1LPAR5MRGPRX4LMNAMAPK1
SCHEMBL6674115 0.84 LMNA (0.38) LPAR1LPAR5MRGPRX4LMNAMAPK1
SCHEMBL8183267 0.79 CTSL (0.40) ALDH1A1
SCHEMBL8183264 0.79 CTSL (0.40) ALDH1A1
SCHEMBL8330140 0.78 NAMPT (0.38) HTTDPP4ALDH1A1KCNA5
SCHEMBL8330137 0.78 NAMPT (0.38) HTTDPP4ALDH1A1KCNA5
SCHEMBL6958407 0.74 MRGPRX4 (0.37) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL6958416 0.74 MRGPRX4 (0.37) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL8326411 0.67 LPAR1 (0.38) LPAR1LPAR5HTTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed