SCHEMBL28582467

SCHEMBL28582467

CC(C)Cc1ccccc1Cn1ccc2cc(C(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.52
KDM4E B2RXH2 1/20 0.43
ALOX5AP P20292 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL28572098 0.99 PPARG (0.52) PPARGKDM4EALOX5AP
SCHEMBL30185506 0.87 KDM4E (0.47) PPARGKDM4E
SCHEMBL28565911 0.87 KDM4E (0.47) PPARGKDM4E
SCHEMBL28565969 0.84 PPARG (0.53) PPARG
SCHEMBL28572099 0.82 PPARG (0.50) PPARG
SCHEMBL28566467 0.81 PLAU (0.56) PPARGALOX5AP
SCHEMBL14121203 0.81 PPARG (0.50) PPARG
SCHEMBL14233800 0.79 PPARG (0.70) PPARG
SCHEMBL5066699 0.79 KDM4E (0.51) KDM4E
SCHEMBL30888879 0.79 PLAU (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed
CN-112759541-A Indole-like derivatives and uses thereof 复旦大学 2021-05-07 CN disclosed