SCHEMBL6990963

SCHEMBL6990963

CCOC(=O)COc1ccc(OC)cc1C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 5/20 0.50
GAA P10253 4/20 0.50
HPGD P15428 3/20 0.50
GLA P06280 3/20 0.50
TP53 P04637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
PTPN1 P18031 1/20 0.48
TSHR P16473 3/20 0.48
MAOB P27338 2/20 0.48
ABCB1 P08183 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48

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
SCHEMBL4051742 0.89 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3903921 0.88 KDM4E (0.55) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL30842189 0.88 KDM4E (0.55) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL29191709 0.85 MEN1 (0.62) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL7202233 0.84 MAPT (0.54) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL12093638 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4773036 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4770864 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL2226744 0.82 PTPN1 (0.52) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL11698401 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4EGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943618-B1 1,2-dioxetane derivative MATSUMOTO MASAKATSU (JP) 2003-08-27 EP disclosed
US-6218135-B1 EASY TO HANDLE, HEAT STABLE, AND HIGH IN EMISSION EFFICIENCY; FOR IMMUNOASSAYS Matsumoto, Masakatsu (JP) 2001-04-17 US disclosed
EP-0943618-A2 1,2-dioxetane derivative FUJIREBIO INC. (JP) 1999-09-22 EP disclosed