SCHEMBL9536562

SCHEMBL9536562

CCOC(=O)OC1CCCCN1C(=O)Cc1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.44
OPRM1 P35372 1/20 0.44
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRD1 P41143 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
BLM P54132 1/20 0.40

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
SCHEMBL9538257 0.90 KMT2A (0.49) OPRK1OPRM1HPGDKMT2AMEN1
SCHEMBL9539327 0.85 OPRK1 (0.42) OPRK1OPRM1HPGDKMT2AMEN1
SCHEMBL9534208 0.85 KMT2A (0.60) KMT2AMEN1SMN1; SMN2TDP1NPC1
SCHEMBL9534996 0.85 OPRK1 (0.40) OPRK1OPRM1HPGD
SCHEMBL9727572 0.83 KMT2A (0.49) OPRK1OPRM1HPGDKMT2AMEN1
SCHEMBL9535882 0.83 HPGD (0.41) OPRK1OPRM1HPGDKMT2AMEN1
SCHEMBL9536216 0.82 ALDH1A1 (0.38) OPRK1OPRM1HPGDKMT2AMEN1
SCHEMBL9539291 0.81 KMT2A (0.44) OPRK1OPRM1KMT2AMEN1SMN1; SMN2
SCHEMBL9535560 0.81 TSHR (0.38) OPRK1OPRM1HPGDKMT2AMEN1
SCHEMBL9536573 0.81 MEN1 (0.43) OPRK1OPRM1HPGDKMT2AMEN1

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