SCHEMBL21384512

SCHEMBL21384512

CC(C)(C)OC(=O)N[C@H]1CC(=O)N(CCNC(=O)CSCC(=O)O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ACE P12821 1/20 0.35
USP2 O75604 1/20 0.34
AKT1 P31749 1/20 0.34
HTR1A P08908 4/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
KCNA3 P22001 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CACNA1H O95180 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31

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
SCHEMBL26634652 1.00 GAA (0.36) GAAACEUSP2AKT1HTR1A
SCHEMBL26634656 1.00 GAA (0.36) GAAACEUSP2AKT1HTR1A
SCHEMBL21389372 0.79 L3MBTL1 (0.38) GAAUSP2ALDH1A1FABP3FABP4
SCHEMBL21383940 0.79 L3MBTL1 (0.38) GAAUSP2ALDH1A1FABP3FABP4
SCHEMBL24796626 0.79 L3MBTL1 (0.38) GAAUSP2ALDH1A1FABP3FABP4
SCHEMBL24795884 0.79 USP2 (0.37) GAAUSP2ALDH1A1FABP3FABP4
SCHEMBL21389230 0.79 USP2 (0.37) GAAUSP2ALDH1A1FABP3FABP4
SCHEMBL21389301 0.78 FABP3 (0.34) GAAUSP2ALDH1A1FABP3FABP4
SCHEMBL21383821 0.78 FABP3 (0.34) GAAUSP2ALDH1A1FABP3FABP4
SCHEMBL26634663 0.78 FABP3 (0.34) GAAUSP2ALDH1A1FABP3FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768294-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS Carmot Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed