SCHEMBL5599872

SCHEMBL5599872

O=C(O)[C@@H](CC=Cc1ccccc1)Oc1ccc(-c2ccc(Cl)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.47
PPARA Q07869 18/20 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
SCHEMBL4868233 1.00 PPARG (0.47) PPARGPPARA
SCHEMBL4940710 0.89 PPARG (0.46) PPARGPPARA
SCHEMBL4940715 0.89 PPARG (0.46) PPARGPPARA
SCHEMBL4940963 0.81 PPARA (0.39) PPARGPPARA
SCHEMBL4873628 0.81 PIN1 (0.50) PPARGPPARA
SCHEMBL4873618 0.81 PIN1 (0.50) PPARGPPARA
SCHEMBL4872018 0.81 PIN1 (0.50) PPARGPPARA
SCHEMBL4872015 0.81 PIN1 (0.50) PPARGPPARA
SCHEMBL1434465 0.78 PPARG (0.67) PPARGPPARA
SCHEMBL4875939 0.78 PPARA (0.58) 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
EP-1742903-B1 PENTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2007-08-22 EP claimed