SCHEMBL9536216

SCHEMBL9536216

CCOC(=O)OC1CCCCN1C(=O)Cc1c(C)c(C)c(C)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
FKBP1A P62942 2/20 0.36
KDM4E B2RXH2 2/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 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
SCHEMBL9535560 0.90 TSHR (0.38) ALDH1A1MEN1MAPK1KMT2AOPRM1
SCHEMBL9538119 0.88 TSHR (0.36) ALDH1A1MEN1MAPK1KMT2AFKBP1A
SCHEMBL9536573 0.85 MEN1 (0.43) MEN1MAPK1KMT2AFKBP1AOPRM1
SCHEMBL9538662 0.83 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2AFKBP1AOPRM1
SCHEMBL9536709 0.83 OPRK1 (0.36) ALDH1A1MEN1MAPK1KMT2AKDM4E
SCHEMBL9538257 0.83 KMT2A (0.49) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL9539327 0.83 OPRK1 (0.42) MEN1KMT2AOPRM1OPRK1SMN1; SMN2
SCHEMBL9535123 0.83 TSHR (0.37) ALDH1A1MEN1MAPK1KMT2AFKBP1A
SCHEMBL9535087 0.82 FKBP1A (0.39) MEN1KMT2AFKBP1AOPRM1OPRK1
SCHEMBL9536562 0.82 OPRK1 (0.44) ALDH1A1MEN1KMT2AKDM4EOPRM1

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