SCHEMBL8815070

SCHEMBL8815070

COc1cc(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
PKM P14618 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
P2RX5 Q93086 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
CNR2 P34972 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 1/20 0.43

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
Hydrochloric Acid SCHEMBL8815028 0.99 MEN1 (0.45) MEN1KMT2APKMKDM4EALDH1A1
SCHEMBL11736108 0.72 ALDH1A1 (0.65) MEN1KMT2APKMALDH1A1P2RX5
SCHEMBL8815387 0.72 SIRT5 (0.59) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL7046987 0.71 ALDH1A1 (0.72) MEN1KMT2AKDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL8814545 0.71 SIRT5 (0.57) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL23057298 0.70 TOP2A (0.50) MEN1KMT2APKMKDM4EALDH1A1
SCHEMBL11740707 0.70 SMN1; SMN2 (0.73) MEN1KMT2AALDH1A1P2RX5P2RX4
SCHEMBL6567614 0.70 HPGD (0.58) MEN1KMT2AALDH1A1
SCHEMBL8814996 0.69 KMT2A (0.59) MEN1KMT2APKM
SCHEMBL21774328 0.69 KMT2A (0.51) MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed