SCHEMBL7782897

SCHEMBL7782897

NC(Cc1ccccc1)C(=O)OC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.62
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
DPP4 P27487 3/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
FAP Q12884 1/20 0.46
SLC15A1 P46059 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
ANPEP P15144 2/20 0.44
ERAP2 Q6P179 2/20 0.44
LTA4H P09960 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
ACE P12821 1/20 0.43
CTSC P53634 1/20 0.43

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
SCHEMBL22375034 1.00 TYR (0.62) TYRALPIPKMPTGS1XIAP
SCHEMBL25769168 1.00 TYR (0.62) TYRALPIPKMPTGS1XIAP
SCHEMBL22375169 1.00 TYR (0.62) TYRALPIPKMPTGS1XIAP
SCHEMBL23642931 1.00 TYR (0.62) TYRALPIPKMPTGS1XIAP
SCHEMBL6803149 1.00 TYR (0.62) TYRALPIPKMPTGS1XIAP
SCHEMBL23643091 1.00 TYR (0.62) TYRALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL27841329 0.99 TYR (0.61) TYRALPIPKMPTGS1XIAP
SCHEMBL7114295 0.98 TYR (0.64) TYRALPIPKMPTGS1XIAP
SCHEMBL1491546 0.98 TYR (0.64) TYRALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL17707256 0.97 TYR (0.62) TYRALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed