SCHEMBL21389158

SCHEMBL21389158

CC1CC(C)C(=O)N(CCNC(=O)CSCC(=O)O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ FABP3 P05413 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL24795885 1.00 USP2 (0.39) USP2GAAALDH1A1FABP3FABP4
SCHEMBL24796115 0.87 GAA (0.38) USP2GAAALDH1A1FABP3FABP4
SCHEMBL21383928 0.87 GAA (0.38) USP2GAAALDH1A1FABP3FABP4
SCHEMBL24796127 0.87 GAA (0.38) USP2GAAALDH1A1FABP3FABP4
SCHEMBL24796132 0.87 GAA (0.38) USP2GAAALDH1A1FABP3FABP4
SCHEMBL21389230 0.87 USP2 (0.37) USP2GAAALDH1A1FABP3FABP4
SCHEMBL24795884 0.87 USP2 (0.37) USP2GAAALDH1A1FABP3FABP4
SCHEMBL26752482 0.86 GAA (0.38) USP2GAAALDH1A1FABP3FABP4
SCHEMBL26744109 0.86 GAA (0.38) USP2GAAALDH1A1FABP3FABP4
SCHEMBL24796616 0.85 USP2 (0.39) USP2GAAALDH1A1FABP3FABP4

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
WO-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 — — WO disclosed
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