SCHEMBL1434444

SCHEMBL1434444

CC[C@@](CCc1ccccc1)(Oc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
PPARA Q07869 7/20 0.44
PPARD Q03181 4/20 0.44
PPARG P37231 6/20 0.42
GPR183 P32249 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL1434771 0.80 KDM4E (0.60) KMT2AMEN1POLBPPARAPPARD
SCHEMBL23754112 0.77 PPARG (0.45) KMT2AMEN1PPARAPPARDPPARG
SCHEMBL8417757 0.76 PPARA (0.40) KMT2AMEN1PPARAPPARDPPARG
SCHEMBL11763480 0.75 PPARG (0.44) KMT2AMEN1PPARAPPARDPPARG
SCHEMBL27597559 0.74 PPARG (0.47) PPARAPPARDPPARG
SCHEMBL28212657 0.74 GAA (0.44) KMT2APPARAPPARDPPARG
SCHEMBL7722455 0.72 ALDH1A1 (0.39)
SCHEMBL7862961 0.72 PPARA (0.44) PPARAPPARDPPARG
SCHEMBL10872140 0.72 LMNA (0.45) KMT2AMEN1POLBPPARAPPARD
SCHEMBL8165047 0.72 ALDH1A1 (0.47) KMT2AMEN1POLBFFAR1

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-1742927-B1 BUTANOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THREREOF MERCK PATENT GMBH (DE) 2011-03-30 EP disclosed