SCHEMBL8744704

SCHEMBL8744704

Cc1cc(C)c(CC(=O)NC(C(=O)O)C(C)C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
PYGL P06737 1/20 0.44
CYP2C9 P11712 1/20 0.44
SDCBP O00560 3/20 0.43
SDC2 P34741 3/20 0.43
KMT2A Q03164 3/20 0.42
GFER P55789 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
PSMB5 P28074 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8744706 1.00 THRA (0.45) THRATHRBPYGLCYP2C9SDCBP
SCHEMBL8744757 0.88 KMT2A (0.54) PYGLCYP2C9KMT2AGFERMEN1
SCHEMBL8744747 0.88 KMT2A (0.54) PYGLCYP2C9KMT2AGFERMEN1
SCHEMBL7094314 0.88 MAPK1 (0.44) THRATHRBPYGLCYP2C9KMT2A
SCHEMBL7094315 0.88 MAPK1 (0.44) THRATHRBPYGLCYP2C9KMT2A
SCHEMBL6996743 0.87 THRA (0.47) THRATHRBSDCBPSDC2KMT2A
SCHEMBL6996747 0.87 THRA (0.47) THRATHRBSDCBPSDC2KMT2A
SCHEMBL8744751 0.85 PYGL (0.48) THRATHRBPYGLCYP2C9KMT2A
SCHEMBL8744745 0.85 PYGL (0.48) THRATHRBPYGLCYP2C9KMT2A
SCHEMBL9594891 0.85 TAS1R3 (0.49) THRBCYP2C9KMT2AMEN1NPSR1

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 3 patents. 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
US-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 US disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed