SCHEMBL8317735

SCHEMBL8317735

CCOC(=O)OC1CC(C)C(C)N1C(=O)Cc1ccc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.33
P2RX7 Q99572 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NLRP3 Q96P20 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL8314030 0.86 SMN1; SMN2 (0.36) SMN1; SMN2CYP3A4P2RX7L3MBTL1CYP1A2
SCHEMBL8317101 0.85 L3MBTL1 (0.33) SMN1; SMN2CYP3A4L3MBTL1MEN1KMT2A
SCHEMBL8312314 0.83 SMN1; SMN2 (0.38) SMN1; SMN2CYP3A4P2RX7L3MBTL1CYP1A2
SCHEMBL8318855 0.83 KMT2A (0.40) SMN1; SMN2CYP3A4P2RX7CYP2C9MEN1
SCHEMBL8316807 0.83 SMN1; SMN2 (0.37) SMN1; SMN2CYP3A4P2RX7L3MBTL1CYP1A2
SCHEMBL8878394 0.82 SMN1; SMN2 (0.39) SMN1; SMN2P2RX7L3MBTL1CYP1A2CYP2C9
SCHEMBL8312553 0.82 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2AKDM4EGAA
SCHEMBL8316864 0.81 ALDH1A1 (0.38) SMN1; SMN2CYP3A4L3MBTL1MEN1KMT2A
SCHEMBL8317180 0.80 CYP3A4 (0.35) SMN1; SMN2CYP3A4P2RX7L3MBTL1MEN1
SCHEMBL8315566 0.80 SMN1; SMN2 (0.39) SMN1; SMN2CYP3A4P2RX7L3MBTL1CYP1A2

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-0501129-B1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1999-07-14 EP disclosed
EP-0501129-A1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1992-09-02 EP disclosed