SCHEMBL6653394

SCHEMBL6653394

CC(C)(C)C(N)C(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
LMNA P02545 3/20 0.51
GSK3B P49841 1/20 0.50
HIF1A Q16665 1/20 0.49
ALDH1A1 P00352 6/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
ATM Q13315 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL6653398 1.00 MAPT (0.51) MAPTLMNAGSK3BHIF1AALDH1A1
SCHEMBL6653611 0.85 NPC1 (0.52) MAPTLMNAALDH1A1NPC1TP53
SCHEMBL6653609 0.85 NPC1 (0.52) MAPTLMNAALDH1A1NPC1TP53
SCHEMBL308686 0.83 HIF1A (0.55) MAPTLMNAGSK3BHIF1AALDH1A1
SCHEMBL1239191 0.80 HIF1A (0.58) MAPTLMNAGSK3BHIF1AALDH1A1
SCHEMBL307839 0.79 GSK3B (0.54) MAPTLMNAGSK3BHIF1AALDH1A1
Hydrochloric Acid SCHEMBL6653664 0.79 RAB9A (0.61) MAPTLMNAALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL6653662 0.79 RAB9A (0.61) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL6689013 0.78 MAPT (0.53) MAPTLMNAGSK3BHIF1AALDH1A1
SCHEMBL6689008 0.78 MAPT (0.53) MAPTLMNAGSK3BHIF1AALDH1A1

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
WO-2000061134-A9 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARM (GB) 2004-04-22 WO disclosed
US-6716878-B1 BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES VERNALIS (OXFORD) LIMITED (GB) 2004-04-06 US disclosed