SCHEMBL29019147

SCHEMBL29019147

CC(C)(C)OC(=O)NC(CNC(=O)N[C@@H]1CCc2cc(Cl)ccc21)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.45
SCN9A Q15858 7/20 0.43
CTSL P07711 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PDE10A Q9Y233 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CACNA1B Q00975 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL30083828 0.88 CACNA1B (0.47) TRPV1SCN9ACTSLPPARACACNA1B
SCHEMBL23978896 0.88 CACNA1B (0.47) TRPV1SCN9ACTSLPPARACACNA1B
SCHEMBL23978768 0.87 ALDH1A1 (0.52) SCN9AALDH1A1
SCHEMBL24804267 0.87 ALDH1A1 (0.52) SCN9AALDH1A1
SCHEMBL24804266 0.87 ALDH1A1 (0.52) SCN9AALDH1A1
SCHEMBL30279443 0.87 ALDH1A1 (0.52) SCN9AALDH1A1
SCHEMBL21376863 0.79 SCN9A (0.43) TRPV1SCN9AALDH1A1
SCHEMBL24106073 0.78 USP2 (0.54) SCN9ACACNA1BALDH1A1
SCHEMBL29019137 0.78 TRPV1 (0.50) TRPV1PDE10A
SCHEMBL24804772 0.76 EPHX2 (0.50) SCN9APPARACACNA1BALDH1A1

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
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed