SCHEMBL31407418

SCHEMBL31407418

CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
GAA P10253 1/20 0.31
EPHX1 P07099 2/20 0.31
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25182277 1.00 BTK (0.38) BTKHTR2CSLC6A4GAAEPHX1
SCHEMBL31407713 0.97 BTK (0.35) BTKHTR2CSLC6A4GAAEPHX1
SCHEMBL25182328 0.97 BTK (0.35) BTKHTR2CSLC6A4GAAEPHX1
SCHEMBL17493774 0.95 GAA (0.36) BTKHTR2CSLC6A4GAAEPHX1
SCHEMBL19328219 0.95 GAA (0.36) BTKHTR2CSLC6A4GAAEPHX1
SCHEMBL1163036 0.93 CHRNB2 (0.32) BTK
SCHEMBL19245138 0.93 CHRNB2 (0.32) BTK
SCHEMBL25969299 0.83 GAA (0.36) BTKHTR2CSLC6A4GAAEPHX1
SCHEMBL30878165 0.81 THRB (0.38) BTKHTR2CSLC6A4GAAEPHX1
SCHEMBL25980518 0.80 GAA (0.38) BTKHTR2CSLC6A4GAAEPHX1

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