SCHEMBL8744745

SCHEMBL8744745

COC(C)C(NC(=O)Cc1c(C)cc(C)cc1C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGL P06737 6/20 0.48
CYP2C9 P11712 5/20 0.48
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 2/20 0.39
PSMB5 P28074 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL8744751 1.00 PYGL (0.48) PYGLCYP2C9KMT2AGFERLMNA
SCHEMBL9596067 0.86 PYGL (0.38) PYGLCYP2C9KMT2AGFERLMNA
SCHEMBL8744770 0.86 PYGL (0.38) PYGLCYP2C9KMT2AGFERLMNA
SCHEMBL8744704 0.85 THRA (0.45) PYGLCYP2C9KMT2AGFERPSMB5
SCHEMBL8744706 0.85 THRA (0.45) PYGLCYP2C9KMT2AGFERPSMB5
SCHEMBL8744757 0.83 KMT2A (0.54) PYGLCYP2C9KMT2AGFERL3MBTL1
SCHEMBL8744747 0.83 KMT2A (0.54) PYGLCYP2C9KMT2AGFERL3MBTL1
SCHEMBL7094315 0.80 MAPK1 (0.44) PYGLCYP2C9KMT2AGFERLMNA
SCHEMBL7094314 0.80 MAPK1 (0.44) PYGLCYP2C9KMT2AGFERLMNA
SCHEMBL9594891 0.80 TAS1R3 (0.49) CYP2C9KMT2ALMNAPSMB5THRB

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-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 EP disclosed