SCHEMBL9536709

SCHEMBL9536709

CCOC(=O)OC1CCCCN1C(=O)Cc1cc(C)c(C)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.36
OPRM1 P35372 1/20 0.36
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RECQL P46063 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
SCHEMBL9538264 0.88 PLA2G1B (0.38) OPRK1OPRM1MEN1KMT2AALDH1A1
SCHEMBL9538119 0.86 TSHR (0.36) OPRK1OPRM1TSHRNPSR1MEN1
SCHEMBL9535560 0.86 TSHR (0.38) OPRK1OPRM1TSHRNPSR1MEN1
SCHEMBL9536076 0.83 SMN1; SMN2 (0.38) OPRK1OPRM1MEN1KMT2ASMN1; SMN2
SCHEMBL9536216 0.83 ALDH1A1 (0.38) OPRK1OPRM1MEN1KMT2AMAPK1
SCHEMBL9727454 0.83 FKBP1A (0.48) TSHRNPSR1MEN1KMT2AMAPK1
SCHEMBL9536573 0.81 MEN1 (0.43) OPRK1OPRM1TSHRMEN1KMT2A
SCHEMBL9535404 0.81 MEN1 (0.38) OPRK1OPRM1NPSR1MEN1KMT2A
SCHEMBL9538662 0.80 SMN1; SMN2 (0.41) OPRK1OPRM1MEN1KMT2AALDH1A1
SCHEMBL9535882 0.79 HPGD (0.41) OPRK1OPRM1TSHRMEN1KMT2A

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