SCHEMBL23699341

SCHEMBL23699341

COc1cccc(CC(CN(C)C(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
TAAR1 Q96RJ0 2/20 0.43
SLC7A5 Q01650 1/20 0.42
MAOB P27338 1/20 0.41
HSD17B2 P37059 3/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FOLH1 Q04609 1/20 0.40
CTBP2 P56545 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL23699399 0.90 TAAR1 (0.42) PPARATAAR1HSD17B2MEN1KMT2A
SCHEMBL16798383 0.86 LDHA (0.51) PPARAKMT2APPARG
SCHEMBL23699429 0.85 CYP1A2 (0.51) CYP1A2FOLH1
SCHEMBL23699358 0.85 CTSS (0.47) PPARASLC7A5MAOBMEN1KMT2A
SCHEMBL23699440 0.82 FOLH1 (0.56) SLC7A5MAOBFOLH1
SCHEMBL2026436 0.81 PPARA (0.48) PPARATAAR1SLC7A5CYP1A2MEN1
SCHEMBL2026435 0.81 PPARA (0.48) PPARATAAR1SLC7A5CYP1A2MEN1
SCHEMBL25251768 0.79 AOC3 (0.45) BCHEACHE
SCHEMBL3010321 0.78 AOC3 (0.56) TAAR1HSD17B2BCHEACHE
SCHEMBL16798442 0.77 CTSS (0.44) PPARACYP1A2PPARG

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-3858439-A1 AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-08-04 EP disclosed
EP-3858439-A1 AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-08-04 EP disclosed