SCHEMBL6689013

SCHEMBL6689013

CC(C)(C)[C@H](NC(=O)O)C(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
LMNA P02545 3/20 0.53
PKM P14618 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 7/20 0.49
ATM Q13315 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GSK3B P49841 1/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
DGAT1 O75907 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
SCHEMBL6689008 1.00 MAPT (0.53) MAPTLMNAPKMNPC1TP53
SCHEMBL6760302 0.85 MAPT (0.49) MAPTLMNAPKMNPC1TP53
SCHEMBL6760301 0.85 MAPT (0.49) MAPTLMNAPKMNPC1TP53
SCHEMBL6653398 0.78 MAPT (0.51) MAPTLMNAPKMNPC1TP53
SCHEMBL6653394 0.78 MAPT (0.51) MAPTLMNAPKMNPC1TP53
SCHEMBL1239191 0.75 HIF1A (0.58) MAPTLMNAPKMNPC1TP53
SCHEMBL6977287 0.75 HIF1A (0.54) MAPTLMNAPKMNPC1TP53
SCHEMBL15738413 0.74 TRPA1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1440635 0.74 KMT2A (0.43) LMNATP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL308686 0.73 HIF1A (0.55) MAPTLMNAPKMNPC1TP53

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
WO-2000061134-A9 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARM (GB) 2004-04-22 WO disclosed