SCHEMBL8317180

SCHEMBL8317180

CCOC(=O)OC1CC(C)CN1C(=O)Cc1ccc(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NLRP3 Q96P20 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8317561 0.90 CYP3A4 (0.35) CYP3A4SMN1; SMN2P2RX7L3MBTL1KMT2A
SCHEMBL8317692 0.89 POLB (0.35) SMN1; SMN2P2RX7L3MBTL1KMT2AMEN1
SCHEMBL8317318 0.89 POLB (0.35) CYP3A4SMN1; SMN2P2RX7L3MBTL1LMNA
SCHEMBL8314255 0.88 CYP3A4 (0.35) CYP3A4SMN1; SMN2P2RX7L3MBTL1LMNA
SCHEMBL8313957 0.85 ALDH1A1 (0.33) CYP3A4LMNATP53KMT2AMEN1
SCHEMBL8314030 0.84 SMN1; SMN2 (0.36) CYP3A4SMN1; SMN2P2RX7L3MBTL1LMNA
SCHEMBL8317448 0.83 KMT2A (0.40) CYP3A4SMN1; SMN2P2RX7LMNATP53
SCHEMBL8875741 0.82 ALDH1A1 (0.38) SMN1; SMN2P2RX7L3MBTL1LMNAKMT2A
SCHEMBL9536076 0.81 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1KMT2AMEN1POLB
SCHEMBL8313747 0.81 ALDH1A1 (0.35) SMN1; SMN2L3MBTL1LMNAKMT2AMEN1

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