SCHEMBL31407308

SCHEMBL31407308

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c(Cl)cccc12)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
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
CTSL P07711 2/20 0.54
ITGB2 P05107 2/20 0.51
ICAM1 P05362 2/20 0.51
ITGAL P20701 2/20 0.51
TACR1 P25103 2/20 0.50
TNF P01375 1/20 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
SMN1; SMN2 Q16637 1/20 0.48
SSTR3 P32745 1/20 0.46

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
SCHEMBL31725831 0.91 TACR1 (0.56) ACESCN9ACTSSCTSKCTSL
SCHEMBL28880060 0.87 ACE (0.56) ACESCN9ACTSSCTSKCTSL
SCHEMBL28880058 0.87 ACE (0.56) ACESCN9ACTSSCTSKCTSL
SCHEMBL29557497 0.86 MAPT (0.60) ACESCN9ACTSSCTSKCTSL
SCHEMBL21644802 0.86 MAPT (0.60) ACESCN9ACTSSCTSKCTSL
SCHEMBL23649377 0.86 SCN9A (0.59) ACESCN9ACTSSCTSKCTSL
SCHEMBL30018105 0.86 SCN9A (0.59) ACESCN9ACTSSCTSKCTSL
SCHEMBL21644800 0.86 MAPT (0.60) ACESCN9ACTSSCTSKCTSL
SCHEMBL23649380 0.86 SCN9A (0.59) ACESCN9ACTSSCTSKCTSL
SCHEMBL20739200 0.85 ACE (0.54) ACESCN9ACTSSCTSKCTSL

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