SCHEMBL8645012

SCHEMBL8645012

COC(=O)[C@H](C)N(C(=O)[C@@H](N)CC(C)C)c1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
GPR88 Q9GZN0 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
CTSK P43235 3/20 0.40
ALOX5 P09917 1/20 0.40
KIF11 P52732 1/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR2 Q92731 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
Hydrochloric Acid SCHEMBL7400787 0.99 AAK1 (0.42) AAK1GPR88TAS1R3TAS1R1CTSK
SCHEMBL7404137 0.89 GPR88 (0.46) AAK1GPR88CTSKCTSBMEN1
Hydrochloric Acid SCHEMBL8417536 0.88 GPR88 (0.45) AAK1GPR88CTSKCTSBMEN1
Hydrochloric Acid SCHEMBL7398161 0.83 NOS3 (0.41) AAK1GPR88MAPTCTSLALDH1A1
SCHEMBL7405939 0.79 ALDH1A1 (0.45) AAK1TAS1R3TAS1R1CTSKMAPT
Hydrochloric Acid SCHEMBL7402748 0.78 NOS3 (0.42) AAK1SMN1; SMN2HPGD
SCHEMBL8639130 0.74 ANPEP (0.44) GPR88TAS1R3TAS1R1CTSBMEN1
SCHEMBL8639909 0.74 REN (0.43) CTSKMAPTNPC1TP53RAB9A
SCHEMBL8648854 0.74 BTN3A1 (0.40) GPR88TAS1R3TAS1R1CTSKCTSL
SCHEMBL10533268 0.73 KCNA5 (0.42) TP53SMN1; SMN2ALDH1A1MEN1KMT2A

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-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed
EP-0766694-A1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-04-09 EP disclosed
WO-1995035307-A1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1995-12-28 WO disclosed