SCHEMBL29876243

SCHEMBL29876243

CC(C)[C@H](NC(=O)CCCN)C(=O)N[C@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.43
SLC6A5 Q9Y345 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 3/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
LTA4H P09960 1/20 0.39
CASP1 P29466 1/20 0.39
CTSD P07339 2/20 0.36
BACE1 P56817 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
SCHEMBL24279790 1.00 FAAH (0.43) FAAHSLC6A5SMN1; SMN2ALDH1A1MAPT
SCHEMBL23071837 0.95 FAAH (0.46) FAAHSLC6A5SMN1; SMN2EPHX2MME
SCHEMBL19569859 0.86 FAAH (0.54) FAAHSLC6A5SMN1; SMN2ALDH1A1MAPT
SCHEMBL30076306 0.86 FAAH (0.60) FAAHSLC6A5SMN1; SMN2ALDH1A1MME
SCHEMBL29789543 0.85 MME (0.42) SMN1; SMN2MMEACECPA1ACE2
SCHEMBL6447833 0.84 EPHX2 (0.50) FAAHSLC6A5SMN1; SMN2ALDH1A1EPHX2
SCHEMBL6447837 0.84 EPHX2 (0.50) FAAHSLC6A5SMN1; SMN2ALDH1A1EPHX2
SCHEMBL30018188 0.84 FAAH (0.62) FAAHSLC6A5SMN1; SMN2ALDH1A1
SCHEMBL30018617 0.84 FAAH (0.62) FAAHSLC6A5SMN1; SMN2ALDH1A1
SCHEMBL30018433 0.83 FAAH (0.45) FAAHSLC6A5SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313033-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF TUFTS COLLEGE (US) 2024-02-07 EP disclosed
CN-117425476-A Boric acid compounds, compositions and methods 塔夫茨大学的受托人 2024-01-19 CN disclosed
EP-4126053-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2023-02-08 EP disclosed
CN-115697413-A Radiopharmaceuticals and imaging agents targeting FAP and uses related thereto 塔夫茨大学信托人 2023-02-03 CN disclosed
WO-2022204368-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF TUFTS COLLEGE (US) 2022-09-29 WO disclosed