SCHEMBL7363960

SCHEMBL7363960

CCOC(=O)CC(Cc1cccc(C#N)c1)O[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
FFAR1 O14842 2/20 0.43
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
FOLH1 Q04609 1/20 0.41
NLRP3 Q96P20 1/20 0.39
GLA P06280 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CNR2 P34972 1/20 0.38
PIN1 Q13526 1/20 0.38
MAOB P27338 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 1/20 0.37
GRM5 P41594 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
IDH1 O75874 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL7453413 0.82 FFAR1 (0.46) PDCD1CD274FFAR1POLBFOLH1
SCHEMBL7361595 0.82 PDCD1 (0.48) PDCD1CD274FFAR1POLBRXFP1
SCHEMBL2673187 0.76 PDCD1 (0.49) PDCD1CD274FFAR1POLBFOLH1
SCHEMBL5725267 0.76 PDCD1 (0.54) PDCD1CD274FFAR1POLBRXFP1
SCHEMBL30088453 0.76 PDCD1 (0.54) PDCD1CD274FFAR1POLBRXFP1
SCHEMBL23139004 0.75 FFAR1 (0.49) PDCD1CD274FFAR1POLBRXFP1
SCHEMBL7360596 0.75 FFAR1 (0.49) PDCD1CD274FFAR1POLBRXFP1
SCHEMBL7404836 0.74 DPP7 (0.51) PDCD1CD274FFAR1POLBRXFP1
SCHEMBL7404834 0.74 DPP7 (0.51) PDCD1CD274FFAR1POLBRXFP1
SCHEMBL7403825 0.74 DPP7 (0.51) PDCD1CD274FFAR1POLBRXFP1

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
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
US-5942544-A α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-24 US disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed