SCHEMBL9538264

SCHEMBL9538264

CCOC(=O)OC1CCCCN1C(=O)Cc1cc(C)c(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
OPRK1 P41145 4/20 0.37
OPRM1 P35372 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FKBP1A P62942 1/20 0.34

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
SCHEMBL9536709 0.88 OPRK1 (0.36) OPRK1OPRM1SMN1; SMN2HPGDMEN1
SCHEMBL9536076 0.87 SMN1; SMN2 (0.38) POLBOPRK1OPRM1L3MBTL1SMN1; SMN2
SCHEMBL9535560 0.86 TSHR (0.38) OPRK1OPRM1SMN1; SMN2HPGDMEN1
SCHEMBL9535279 0.85 PLA2G1B (0.36) PLA2G1BPOLBATG4BOPRK1ALDH1A1
SCHEMBL9535404 0.85 MEN1 (0.38) OPRK1OPRM1L3MBTL1SMN1; SMN2MEN1
SCHEMBL9538119 0.84 TSHR (0.36) OPRK1OPRM1SMN1; SMN2HPGDMEN1
SCHEMBL9536573 0.83 MEN1 (0.43) POLBOPRK1OPRM1SMN1; SMN2HPGD
SCHEMBL9727490 0.82 FKBP1A (0.50) POLBSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9538662 0.81 SMN1; SMN2 (0.41) OPRK1OPRM1SMN1; SMN2MEN1KMT2A
SCHEMBL9535882 0.81 HPGD (0.41) OPRK1OPRM1SMN1; SMN2HPGDMEN1

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