SCHEMBL31407830

SCHEMBL31407830

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
ACE P12821 1/20 0.64
SCN9A Q15858 2/20 0.64
LTA4H P09960 3/20 0.63
PLA2G2A P14555 3/20 0.63
HSP90AA1 P07900 1/20 0.63
HSP90AB1 P08238 1/20 0.63
MMP2 P08253 1/20 0.58
MMP13 P45452 1/20 0.58
MMP14 P50281 1/20 0.58
ADAM17 P78536 1/20 0.58
PPARG P37231 1/20 0.58
TACR1 P25103 2/20 0.57
KLK7 P49862 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
CTSL P07711 1/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
PTPN1 P18031 2/20 0.55

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
SCHEMBL1177004 0.91 SCN9A (0.66) MEN1KMT2AACESCN9ALTA4H
SCHEMBL23929215 0.90 LTA4H (0.62) MEN1KMT2AACESCN9ALTA4H
SCHEMBL23929211 0.90 LTA4H (0.62) MEN1KMT2AACESCN9ALTA4H
SCHEMBL11682927 0.88 MEN1 (0.80) MEN1KMT2ALTA4HPLA2G2AHSP90AA1
SCHEMBL31407794 0.86 SCN9A (0.65) MEN1KMT2AACESCN9AMMP2
SCHEMBL8939526 0.86 SCN9A (0.65) MEN1KMT2AACESCN9AMMP2
SCHEMBL8939524 0.86 SCN9A (0.65) MEN1KMT2AACESCN9AMMP2
SCHEMBL9833617 0.86 CCKBR (0.69) MEN1KMT2ALTA4HPLA2G2AHSP90AA1
SCHEMBL20738958 0.85 SCN9A (0.64) MEN1KMT2AACESCN9ATACR1
SCHEMBL20738959 0.85 SCN9A (0.64) MEN1KMT2AACESCN9ATACR1

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