SCHEMBL29131650

SCHEMBL29131650

NCC(=O)c1ccccc1NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.55
PPARA Q07869 1/20 0.47

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
SCHEMBL7381222 0.85 PPARG (0.60) PPARGPPARA
SCHEMBL27277369 0.82 PPARG (0.59) PPARGPPARA
SCHEMBL28440258 0.82 PPARG (0.54) PPARGPPARA
SCHEMBL9751930 0.81 PPARG (0.79) PPARGPPARA
SCHEMBL7415561 0.80 PPARG (0.58) PPARGPPARA
SCHEMBL7383418 0.80 PPARG (0.58) PPARG
SCHEMBL2721340 0.80 PPARG (0.58) PPARGPPARA
SCHEMBL7422437 0.79 PPARG (0.48) PPARG
SCHEMBL7985187 0.79 PPARG (0.57) PPARGPPARA
SCHEMBL6272167 0.78 PPARG (0.57) PPARG

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-117269494-A A group of metabolic markers for breast cancer lung metastasis 厦门大学 2023-12-22 CN disclosed