SCHEMBL7797864

SCHEMBL7797864

Nc1ccccc1C(=O)CCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 7/20 0.44
CFTR P13569 1/20 0.44
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC3 O15379 4/20 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
SCHEMBL16431087 0.85 HDAC3 (0.53) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL30852311 0.85 HDAC3 (0.53) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL5415859 0.83 GAA (0.44) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL30484132 0.83 ALDH1A1 (0.58) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL1207100 0.83 ALDH1A1 (0.58) MAPTGAAALDH1A1HSD17B10CFTR
Kynuramine SCHEMBL2801613 0.82 MAPT (0.50) MAPTGAAALDH1A1HSD17B10CFTR
Kynuramine SCHEMBL30555814 0.82 MAPT (0.50) MAPTGAAALDH1A1HSD17B10CFTR
Hydrochloric Acid SCHEMBL7799850 0.81 GAA (0.43) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL312279 0.81 ALDH1A1 (0.58) MAPTALDH1A1HSD17B10CFTRKDM4E
SCHEMBL28685165 0.80 ALDH1A1 (0.60) MAPTALDH1A1HSD17B10KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1100755-C Aminophenyl ketone derivative and preparation method thereof AMERICAN CYANIAMID CO (US) 2003-02-05 CN disclosed
EP-0849262-B1 Aminophenyl ketone derivatives and a method for the preparation thereof AMERICAN CYANAMID CO (US) 2001-10-17 EP disclosed
CN-1073086-C Process for the manufacture of cycloalkyl and haloalkyl O-aminophenyl ketones AMERICAN CYANAMID CO (US) 2001-10-17 CN disclosed
US-6127576-A Aminophenyl ketone derivatives and a method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 2000-10-03 US disclosed
EP-0849262-A1 Aminophenyl ketone derivatives and a method for the preparation thereof American Cyanamid Company (US) 1998-06-24 EP disclosed
CN-1185430-A Aminophenyl ketone derivative and preparation method thereof AMERICAN CYANIAMID CO (US) 1998-06-24 CN disclosed
EP-0655436-B1 Improved process for the manufacture of cycloalkyl and haloalkyl o-aminophenyl ketones AMERICAN CYANAMID CO (US) 1998-03-11 EP disclosed
CN-1122327-A Process for the manufacture of cycloalkyl and haloalkyl O-aminophenyl ketones AMERICAN CYANAMID CO (US) 1996-05-15 CN disclosed
EP-0655436-A1 Improved process for the manufacture of cycloalkyl and haloalkyl o-aminophenyl ketones AMERICAN CYANAMID COMPANY (US) 1995-05-31 EP disclosed
US-5362911-A Process for the preparation of o-aminophenyl cyclo-propyl ketone AMERICAN CYANAMID COMPANY (US) 1994-11-08 US disclosed