SCHEMBL7305342

SCHEMBL7305342

CC(C)C[C@H](NC(CCc1ccccc1)[PH](=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 10/20 0.62
ERAP2 Q6P179 9/20 0.62
IL1RN P18510 4/20 0.62
PYGB P11216 1/20 0.57
ANPEP P15144 3/20 0.54
NMBR P28336 1/20 0.53
ECE1 P42892 1/20 0.53
MMP9 P14780 3/20 0.52
MMP8 P22894 3/20 0.52
LNPEP Q9UIQ6 3/20 0.52
MMP2 P08253 2/20 0.51
MMP14 P50281 1/20 0.51

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
SCHEMBL7313093 0.94 ERAP1 (0.58) ERAP1ERAP2IL1RNPYGBANPEP
SCHEMBL7310121 0.84 ERAP1 (0.63) ERAP1ERAP2IL1RNPYGBANPEP
SCHEMBL27458142 0.83 ERAP2 (0.67) ERAP1ERAP2IL1RNNMBRECE1
SCHEMBL7327655 0.79 PYGB (0.69) ERAP1ERAP2IL1RNPYGBANPEP
SCHEMBL7311262 0.79 ERAP1 (0.75) ERAP1ERAP2IL1RNANPEPNMBR
SCHEMBL17813732 0.79 PYGB (0.69) ERAP1ERAP2IL1RNPYGBANPEP
SCHEMBL27887777 0.79 ERAP2 (0.74) ERAP1ERAP2IL1RNNMBRECE1
SCHEMBL7315344 0.79 ERAP1 (0.58) ERAP1ERAP2IL1RNPYGBANPEP
SCHEMBL9471350 0.78 IL1RN (0.71) ERAP1ERAP2IL1RNNMBR
SCHEMBL9471355 0.78 IL1RN (0.71) ERAP1ERAP2IL1RNNMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380921-A Enzyme inhibitors for endothelin converting enzyme for cardiovascular disorders and atherosclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-01-10 US disclosed
EP-0623625-A1 Aminophosphonic acid derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed