SCHEMBL30642007

SCHEMBL30642007

N[C@@H](Cc1ccc(-c2cccc3ccccc23)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.61
PPARA Q07869 6/20 0.61
SLC7A5 Q01650 2/20 0.58
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
TPH1 P17752 5/20 0.50
KIF11 P52732 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL27616583 1.00 PPARG (0.61) PPARGPPARASLC7A5ALPIPKM
SCHEMBL351770 1.00 PPARG (0.61) PPARGPPARASLC7A5ALPIPKM
Hydrochloric Acid SCHEMBL7569059 0.99 PPARG (0.60) PPARGPPARASLC7A5ALPIPKM
SCHEMBL180446 0.85 SLC7A5 (0.70) PPARGPPARASLC7A5ALPIPKM
SCHEMBL8453872 0.84 PPARG (0.57) PPARGPPARASLC7A5ALPIPKM
Hydrochloric Acid SCHEMBL8028705 0.83 PPARG (0.56) PPARGPPARASLC7A5ALPIPKM
Hydrochloric Acid SCHEMBL27370494 0.83 PPARG (0.56) PPARGPPARASLC7A5ALPIPKM
Hydrochloric Acid SCHEMBL7569042 0.83 SLC7A5 (0.68) PPARGPPARASLC7A5ALPIPKM
Hydrochloric Acid SCHEMBL8026419 0.83 PPARG (0.49) PPARGPPARAHDAC8HDAC6
Hydrochloric Acid SCHEMBL8027062 0.83 PPARG (0.49) PPARGPPARAHDAC8HDAC6

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
CN-116997349-A Compounds for use in the treatment of enveloped virus infections 制药控股有限公司 2023-11-03 CN claimed
CN-116997349-A Compounds for use in the treatment of enveloped virus infections 制药控股有限公司 2023-11-03 CN disclosed