SCHEMBL27679803

SCHEMBL27679803

O=C(Oc1ccccc1NC(CCc1ccc(OCCCNC(=O)C(Cc2ccccc2)c2ccccc2)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.46
PPARA Q07869 2/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL27679804 0.93 PPARG (0.50) PPARGPPARA
SCHEMBL28769349 0.86 PPARG (0.45) PPARG
SCHEMBL27679956 0.86 KDM4E (0.46) PPARG
SCHEMBL27698864 0.85 TAAR1 (0.47) PPARG
SCHEMBL28764297 0.84 PPARG (0.46) PPARG
SCHEMBL27698919 0.84 PPARG (0.47) PPARGPPARA
SCHEMBL27679957 0.83 PPARG (0.53) PPARGPPARA
SCHEMBL28764427 0.82 PPARG (0.54) PPARGPPARA
SCHEMBL28768465 0.82 PPARG (0.47) PPARGPPARA
SCHEMBL27698879 0.82 PPARG (0.45) PPARGPPARA

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-101048367-A New tyrosine derivative as ppar gamma regulator SALVAT LAB HOLDINGS S A (ES) 2007-10-03 CN disclosed