SCHEMBL31407359

SCHEMBL31407359

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2cccc(Cl)c12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.56
SCN9A Q15858 2/20 0.55
CTSL P07711 2/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
ITGB2 P05107 3/20 0.51
ICAM1 P05362 3/20 0.51
ITGAL P20701 3/20 0.51
TACR1 P25103 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
SSTR3 P32745 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 1/20 0.45

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
SCHEMBL31725808 0.91 TACR1 (0.56) ACESCN9ACTSLCTSSCTSK
SCHEMBL22734261 0.88 ACE (0.57) ACESCN9ACTSLCTSSCTSK
SCHEMBL22734260 0.88 ACE (0.57) ACESCN9ACTSLCTSSCTSK
SCHEMBL29843161 0.88 ACE (0.57) ACESCN9ACTSLCTSSCTSK
SCHEMBL20738963 0.85 ACE (0.58) ACESCN9ACTSLCTSSCTSK
SCHEMBL20738961 0.85 ACE (0.58) ACESCN9ACTSLCTSSCTSK
SCHEMBL31407308 0.83 ACE (0.56) ACESCN9ACTSLCTSSCTSK
SCHEMBL850438 0.82 ACE (0.77) ACESCN9ACTSLCTSSCTSK
SCHEMBL1486167 0.82 ACE (0.77) ACESCN9ACTSLCTSSCTSK
SCHEMBL1003555 0.82 ACE (0.77) ACESCN9ACTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed