SCHEMBL21389252

SCHEMBL21389252

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ FABP3 P05413 1/20 0.30
▸ FABP4 P15090 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
SCHEMBL21383928 0.87 GAA (0.38) GAAUSP2L3MBTL1ALDH1A1FABP3
SCHEMBL24796132 0.87 GAA (0.38) GAAUSP2L3MBTL1ALDH1A1FABP3
SCHEMBL24796115 0.87 GAA (0.38) GAAUSP2L3MBTL1ALDH1A1FABP3
SCHEMBL24796127 0.87 GAA (0.38) GAAUSP2L3MBTL1ALDH1A1FABP3
SCHEMBL24795885 0.79 USP2 (0.39) GAAUSP2L3MBTL1ALDH1A1FABP3
SCHEMBL21389158 0.79 USP2 (0.39) GAAUSP2L3MBTL1ALDH1A1FABP3
SCHEMBL21389177 0.79 GAA (0.36) GAAUSP2L3MBTL1ALDH1A1FABP3
SCHEMBL26746701 0.77 KMT2A (0.33) USP2ALDH1A1
SCHEMBL24796301 0.77 HSD17B10 (0.35) USP2ALDH1A1
SCHEMBL21389394 0.76 GAA (0.38) GAAUSP2L3MBTL1ALDH1A1FABP3

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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