SCHEMBL8317692

SCHEMBL8317692

CCOC(=O)OC1CC(C)CCN1C(=O)Cc1ccc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 1/20 0.34
MDM2 Q00987 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8317180 0.89 CYP3A4 (0.35) POLBSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL8314818 0.86 KMT2A (0.37) POLBSMN1; SMN2GAAOPRM1OPRK1
SCHEMBL9536076 0.86 SMN1; SMN2 (0.38) POLBSMN1; SMN2GAAALOX12OPRM1
SCHEMBL8317561 0.84 CYP3A4 (0.35) POLBSMN1; SMN2GAAALOX12MEN1
SCHEMBL8317694 0.84 KMT2A (0.43) SMN1; SMN2OPRM1OPRK1MEN1KMT2A
SCHEMBL8877501 0.83 MDM2 (0.39) POLBSMN1; SMN2GAAALOX12KMT2A
SCHEMBL8314698 0.83 SMN1; SMN2 (0.35) POLBSMN1; SMN2GAAALOX12MEN1
SCHEMBL8317318 0.83 POLB (0.35) POLBSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL8314030 0.82 SMN1; SMN2 (0.36) SMN1; SMN2GAAALOX12MEN1KMT2A
SCHEMBL8314255 0.82 CYP3A4 (0.35) POLBSMN1; SMN2GAAALOX12OPRK1

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