SCHEMBL7900853

SCHEMBL7900853

COC(=O)CNC(=O)c1ccc(OCc2ccsc2)cc1OCOCC[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL7901282 0.92 LTA4H (0.39) LTA4HPARP15PARP10PARP3MMP1
SCHEMBL7910823 0.88 PARP15 (0.39) PARP15PARP10PARP3MMP1MMP9
SCHEMBL7900929 0.87
SCHEMBL7900990 0.86 PARP15 (0.41) PARP15PARP10PARP3
SCHEMBL7914363 0.85
SCHEMBL7910663 0.82 MME (0.38)
SCHEMBL7914361 0.82
SCHEMBL7910657 0.82 MME (0.38)
SCHEMBL7900989 0.81 PARP15 (0.44) PARP15PARP10PARP3MMP1MMP9
SCHEMBL7914234 0.80

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-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed