SCHEMBL8770592

SCHEMBL8770592

Cc1cc(OCC(=O)OC(C)C)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL20685285 0.88 MAPT (0.57) MAPTATMMEN1KMT2ATP53
SCHEMBL19317367 0.83 ALDH1A1 (0.53) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL30876366 0.83 ALDH1A1 (0.53) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL7447346 0.82 GAA (0.56) MAPTATMTP53L3MBTL1TDP1
SCHEMBL6141297 0.81 ATM (0.40) MAPTATMMEN1PKMKMT2A
Hydrochloric Acid SCHEMBL8323913 0.81 GAA (0.55) MAPTATMTP53L3MBTL1TDP1
SCHEMBL8770574 0.80 MAPT (0.67) MAPTKMT2ATP53RXFP1L3MBTL1
SCHEMBL6838793 0.80 MCL1 (0.66) MAPTMEN1KMT2AL3MBTL1TDP1
SCHEMBL7344872 0.80 MCL1 (0.49) MAPTATMMEN1PKMKMT2A
SCHEMBL1731148 0.79 ATM (0.46) MAPTATML3MBTL1TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed