SCHEMBL9536076

SCHEMBL9536076

CCOC(=O)OC1CCCCN1C(=O)Cc1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
POLB P06746 1/20 0.36
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL9535404 0.88 MEN1 (0.38) SMN1; SMN2MEN1KMT2AL3MBTL1OPRM1
SCHEMBL9538264 0.87 PLA2G1B (0.38) SMN1; SMN2MEN1KMT2AL3MBTL1OPRM1
SCHEMBL8317692 0.86 POLB (0.35) SMN1; SMN2GAAALOX12MEN1KMT2A
SCHEMBL9536573 0.85 MEN1 (0.43) SMN1; SMN2MEN1KMT2AOPRM1OPRK1
SCHEMBL8317561 0.85 CYP3A4 (0.35) SMN1; SMN2GAAALOX12MEN1KMT2A
SCHEMBL8316152 0.84 POLB (0.37) SMN1; SMN2GAAALOX12MEN1KMT2A
SCHEMBL9536709 0.83 OPRK1 (0.36) SMN1; SMN2MEN1KMT2AOPRM1OPRK1
SCHEMBL9727473 0.83 FKBP1A (0.47) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL8312553 0.83 ALDH1A1 (0.40) SMN1; SMN2GAAALOX12MEN1KMT2A
SCHEMBL9538321 0.83 SIGMAR1 (0.49) MEN1KMT2AOPRM1OPRK1UTS2R

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-0355599-B1 3-ARYL-PYRROLIDINE-2,4-DIONES BAYER AG (DE) 1993-05-19 EP disclosed
EP-0355599-A1 3-Aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1990-02-28 EP disclosed