SCHEMBL7995142

SCHEMBL7995142

COC(=O)CC(CC(=O)OC)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
KCNA5 P22460 3/20 0.53
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ATM Q13315 1/20 0.51
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.45
CA7 P43166 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
SCHEMBL12268202 0.94 ALDH1A1 (0.61) ALDH1A1KCNA5KMT2AMAPTL3MBTL1
SCHEMBL1811811 0.94 ALDH1A1 (0.61) ALDH1A1KCNA5KMT2AMAPTL3MBTL1
SCHEMBL12841983 0.93 ALDH1A1 (0.60) ALDH1A1KCNA5KMT2AMAPTL3MBTL1
SCHEMBL28211506 0.91 ALDH1A1 (0.81) ALDH1A1KCNA5KMT2AMAPTL3MBTL1
SCHEMBL22303151 0.91 ALDH1A1 (0.57) ALDH1A1KCNA5KMT2AMAPTL3MBTL1
SCHEMBL7239668 0.91 ALDH1A1 (0.57) ALDH1A1KCNA5KMT2AMAPTL3MBTL1
SCHEMBL16617094 0.90 L3MBTL1 (0.68) ALDH1A1KCNA5KMT2AMAPTL3MBTL1
SCHEMBL28273232 0.89 ALDH1A1 (0.56) ALDH1A1KCNA5KMT2AMAPTL3MBTL1
SCHEMBL3696787 0.89 GABBR2 (0.66) ALDH1A1KCNA5KMT2AMAPTGABBR2
SCHEMBL11576025 0.88 ALDH1A1 (0.55) ALDH1A1KCNA5KMT2AMAPTGABBR2

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
US-6294577-B1 TREATING THE OBJECT OR AREA WITH ANT REPELLENT AGENT SELECTED FROM DIMETHYL SUCCINATE, DIETHYL ADIPATE, DIETHYL MALONATE, AND MIXTURES AND CARRIERS FOR REPELLING ANTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2001-09-25 US disclosed
US-5262313-A Reaction of carrageen with esterase and hardening drops ANDCARE, INC. (US) 1993-11-16 US disclosed
WO-1993003045-A1 PROCESS FOR PURER ORGANIC METAL ION CHELATE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-02-18 WO disclosed