SCHEMBL9536573

SCHEMBL9536573

CCOC(=O)OC1CCCCN1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
EPHX2 P34913 1/20 0.37
FKBP1A P62942 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 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
SCHEMBL9538148 0.92 KMT2A (0.42) MEN1KMT2AMAPK1OPRM1OPRK1
SCHEMBL9538662 0.91 SMN1; SMN2 (0.41) MEN1KMT2AOPRM1OPRK1FKBP1A
SCHEMBL9535087 0.90 FKBP1A (0.39) MEN1KMT2AOPRM1OPRK1FKBP1A
SCHEMBL9538119 0.88 TSHR (0.36) MEN1KMT2AMAPK1OPRM1OPRK1
SCHEMBL9535560 0.88 TSHR (0.38) MEN1KMT2AMAPK1OPRM1OPRK1
SCHEMBL9535123 0.85 TSHR (0.37) MEN1KMT2AMAPK1OPRM1OPRK1
SCHEMBL9535862 0.85 ALDH1A1 (0.39) MEN1KMT2AOPRM1EPHX2HPGD
SCHEMBL8314818 0.85 KMT2A (0.37) MEN1KMT2AMAPK1OPRM1OPRK1
SCHEMBL9536076 0.85 SMN1; SMN2 (0.38) MEN1KMT2AOPRM1OPRK1POLB
SCHEMBL9536216 0.85 ALDH1A1 (0.38) MEN1KMT2AMAPK1OPRM1OPRK1

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