SCHEMBL8744756

SCHEMBL8744756

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PSMB5 P28074 1/20 0.42
LMNA P02545 1/20 0.41
SHMT1 P34896 3/20 0.39
SHMT2 P34897 3/20 0.39
VHL P40337 1/20 0.39
MAPT P10636 1/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL8744760 1.00 POLB (0.47) POLBALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL6990342 0.87 SHMT2 (0.44) POLBALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL6990345 0.87 SHMT2 (0.44) POLBALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8744704 0.84 THRA (0.45) KDM4EPSMB5THRATHRB
SCHEMBL8744706 0.84 THRA (0.45) KDM4EPSMB5THRATHRB
SCHEMBL8744819 0.83 MAPK1 (0.56) POLBALDH1A1KDM4ELMNAMAPT
SCHEMBL8744827 0.83 MAPK1 (0.56) POLBALDH1A1KDM4ELMNAMAPT
SCHEMBL8744813 0.83 LMNA (0.41) SMN1; SMN2PSMB5LMNAL3MBTL1
SCHEMBL9595368 0.83 LMNA (0.41) SMN1; SMN2PSMB5LMNAL3MBTL1
SCHEMBL8744747 0.81 KMT2A (0.54) ALDH1A1L3MBTL1MAPK1

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 2 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
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed