SCHEMBL8149306

SCHEMBL8149306

C=C(c1ccccc1)C(O)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.54
PIN1 Q13526 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
MMP8 P22894 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
CASP1 P29466 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL11648186 0.91 MAPT (0.47) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL11729084 0.87 L3MBTL1 (0.50) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL6067660 0.86 MAPT (0.57) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL11735753 0.84 AKR1C3 (0.51) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL9692286 0.82 KMT2A (0.50) ALDH1A1NPC1KMT2AMAPTSMN1; SMN2
SCHEMBL9661113 0.81 NPC1 (0.53) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL11649968 0.81 MAPT (0.45) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL11233366 0.77 MEN1 (0.51) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL29110220 0.77 KMT2A (0.55) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL30040341 0.76 MAPT (0.47) ALDH1A1NPC1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5721274-A ACIDS, ESTERS, ALCOHOLS, ALDEHYDES AND(OR) KETONES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1998-02-24 US claimed
WO-1994003058-A1 REPELLENTS FOR ANTS UNITED STATES OF AMERICA, AS REPRESENTED BY THE SE (US) 1994-02-17 WO claimed
US-6071973-A TREATING AREA OR OBJECT WITH ANT REPELLENT COMPRISING ALCOHOL HAVING 6 TO 14 CARBON ATOMS SELECTED FROM 1-HEPTANOL, 2-HEPTANOL, 1-NONANOL, 2-NONANOL, (1-DECANOL), 2-DODECANOL, (1-TETRADECANOL), 1-OCTYN-3-OL, 1-OCTEN-3-OL, 2-OCTEN-4-OL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2000-06-06 US disclosed
US-5721274-A ACIDS, ESTERS, ALCOHOLS, ALDEHYDES AND(OR) KETONES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1998-02-24 US disclosed
US-5648390-A TRANS-2-HEXENOIC ACID AND 2-METHYLHEXANOIC ACID WITH CARRIERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1997-07-15 US disclosed
US-5587401-A TREATING OBJECT OR AREA WITH 3-OCTEN-2-ONE AND CARRIER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1996-12-24 US disclosed
WO-1994003058-A1 REPELLENTS FOR ANTS UNITED STATES OF AMERICA, AS REPRESENTED BY THE SE (US) 1994-02-17 WO disclosed