SCHEMBL8744741

SCHEMBL8744741

Cc1cc(C)c(CC(=O)N([C@@H](C)C(=O)O)C(C)(C)C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8744754 0.86 NLRP3 (0.34) KDM4EL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL9371951 0.74 CNR2 (0.37) L3MBTL1MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL9844162 0.72 CNR2 (0.38) POLBMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL8573718 0.70 ALDH1A1 (0.38) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL9369273 0.70 NLRP3 (0.37) KDM4EL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL9368867 0.69 HPGD (0.40) KDM4EL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL9371953 0.68 NLRP3 (0.35) KDM4EL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL509440 0.67 KDM4E (0.58) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL9481342 0.67 KDM4E (0.40) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL8744704 0.67 THRA (0.45) KDM4ENPSR1

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