SCHEMBL8649013

SCHEMBL8649013

CCOC(=O)COc1cc(C)cc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 2/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7475639 0.84 SMN1; SMN2 (0.56) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL4856473 0.83 EPHX2 (0.54) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL4853553 0.82 NLRP3 (0.45) NLRP3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27338662 0.81 NPC1 (0.38) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL10977234 0.81 KMT2A (0.50) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL879946 0.79 KMT2A (0.45) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL27333792 0.79 LMNA (0.58) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7477384 0.79 CA12 (0.48) MEN1KMT2AGAANPSR1
SCHEMBL5361832 0.79 GAA (0.56) NLRP3ALDH1A1MEN1KMT2APOLB
SCHEMBL7351054 0.78 SMN1; SMN2 (0.50) NLRP3ALDH1A1MEN1KMT2APOLB

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-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 US disclosed