SCHEMBL7305566

SCHEMBL7305566

CCOP(=O)(OCC)[C@H](CCc1ccccc1)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.45
CPA2 P48052 2/20 0.45
CPA4 Q9UI42 2/20 0.45
MME P08473 2/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
ACE P12821 1/20 0.43
ERAP2 Q6P179 3/20 0.42
ERAP1 Q9NZ08 3/20 0.42
LNPEP Q9UIQ6 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
CTSL P07711 1/20 0.41
IL1RN P18510 2/20 0.41

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
SCHEMBL7315045 1.00 CPA1 (0.45) CPA1CPA2CPA4MMEMMP2
SCHEMBL7315037 1.00 CPA1 (0.45) CPA1CPA2CPA4MMEMMP2
SCHEMBL7309259 0.92 CTSL (0.46) CPA1CPA2CPA4MMEMMP2
SCHEMBL7309270 0.92 CTSL (0.46) CPA1CPA2CPA4MMEMMP2
SCHEMBL7329474 0.92 CTSL (0.46) CPA1CPA2CPA4MMEMMP2
SCHEMBL7310567 0.89 MMP1 (0.45) MMP3CTSL
SCHEMBL7314942 0.89 MMP1 (0.45) MMP3CTSL
SCHEMBL7314951 0.89 MMP1 (0.45) MMP3CTSL
SCHEMBL7401297 0.84 SMN1; SMN2 (0.44) MMELNPEPSMN1; SMN2GAA
SCHEMBL7317922 0.83 MMP1 (0.47) MMP3CTSL

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