SCHEMBL9535404

SCHEMBL9535404

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
FKBP1A P62942 2/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL9536076 0.88 SMN1; SMN2 (0.38) MEN1KMT2AL3MBTL1OPRM1OPRK1
SCHEMBL9535087 0.86 FKBP1A (0.39) MEN1KMT2AOPRM1OPRK1SMN1; SMN2
SCHEMBL9538264 0.85 PLA2G1B (0.38) MEN1KMT2AL3MBTL1OPRM1OPRK1
SCHEMBL9727550 0.84 FKBP1A (0.50) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9536709 0.81 OPRK1 (0.36) MEN1KMT2AOPRM1OPRK1ALDH1A1
SCHEMBL9538321 0.80 SIGMAR1 (0.49) MEN1KMT2AOPRM1OPRK1ALDH1A1
SCHEMBL9536573 0.78 MEN1 (0.43) MEN1KMT2AOPRM1OPRK1SMN1; SMN2
SCHEMBL9535560 0.78 TSHR (0.38) MEN1KMT2AOPRM1OPRK1ALDH1A1
SCHEMBL9535882 0.78 HPGD (0.41) MEN1KMT2AOPRM1OPRK1ALDH1A1
SCHEMBL9538662 0.76 SMN1; SMN2 (0.41) MEN1KMT2AOPRM1OPRK1ALDH1A1

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