SCHEMBL8316807

SCHEMBL8316807

CCOC(=O)OC1C(C)CC(C)N1C(=O)Cc1ccc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 5/20 0.34
CYP3A4 P08684 1/20 0.33
P2RX7 Q99572 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 3/20 0.32
NLRP3 Q96P20 1/20 0.32
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
KDM4E B2RXH2 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8314373 0.85 MEN1 (0.32) SMN1; SMN2KMT2ACYP3A4MEN1NLRP3
SCHEMBL8314030 0.84 SMN1; SMN2 (0.36) SMN1; SMN2KMT2ACYP3A4P2RX7L3MBTL1
SCHEMBL8316358 0.83 KMT2A (0.40) SMN1; SMN2KMT2ACYP3A4P2RX7CYP2C9
SCHEMBL8317735 0.83 SMN1; SMN2 (0.37) SMN1; SMN2KMT2ACYP3A4P2RX7L3MBTL1
SCHEMBL8876228 0.82 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AP2RX7L3MBTL1CYP1A2
SCHEMBL8315566 0.82 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ACYP3A4P2RX7L3MBTL1
SCHEMBL8312314 0.81 SMN1; SMN2 (0.38) SMN1; SMN2KMT2ACYP3A4P2RX7L3MBTL1
SCHEMBL8317855 0.81 KMT2A (0.34) SMN1; SMN2KMT2AL3MBTL1MEN1NLRP3
SCHEMBL8314698 0.80 SMN1; SMN2 (0.35) SMN1; SMN2KMT2ACYP3A4P2RX7L3MBTL1
SCHEMBL8312553 0.80 ALDH1A1 (0.40) SMN1; SMN2KMT2AMEN1GAAALOX12

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-0501129-B1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1999-07-14 EP disclosed
EP-0501129-A1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1992-09-02 EP disclosed