SCHEMBL7665459

SCHEMBL7665459

CC(C)(C)OC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4A O75164 1/20 0.42
SLC7A5 Q01650 1/20 0.42
NAMPT P43490 1/20 0.42
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
KCNA5 P22460 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL27350397 0.90 HDAC1 (0.42) ALOX15HDAC1HDAC10HDAC6KDM4A
SCHEMBL7403265 0.89 EPHX2 (0.49) HDAC1HDAC10HDAC6KDM4ANAMPT
SCHEMBL13385350 0.85 EPHX2 (0.47) HDAC1HDAC10HDAC6KDM4ANAMPT
SCHEMBL6950153 0.84 HDAC10 (0.43) HDAC1HDAC10HDAC6KDM4ASLC7A5
SCHEMBL21987982 0.82 IDO1 (0.51) HDAC1HDAC10HDAC6KDM4AEPHX2
SCHEMBL29726461 0.82 GRM2 (0.44) HDAC1HDAC10HDAC6KDM4ANAMPT
SCHEMBL15862086 0.81 KDM4A (0.44) ALOX15HDAC1HDAC10HDAC6KDM4A
SCHEMBL7443631 0.80 VCAM1 (0.44) KDM4AKDM4EALDH1A1MAPTHPGD
SCHEMBL2062310 0.79 ALOX15 (0.46) ALOX15SLC7A5KDM4EALDH1A1GLA
SCHEMBL1003573 0.79 SLC7A5 (0.48) ALOX15SLC7A5NR1H4KDM4EALDH1A1

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-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed