SCHEMBL7866903

SCHEMBL7866903

O=C(Nc1ccc(OCCO)cc1)C1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
LIPE Q05469 1/20 0.48
POLB P06746 2/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
STS P08842 1/20 0.47
MEN1 O00255 1/20 0.47
PTPN1 P18031 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
EPHX2 P34913 2/20 0.46
MAPK14 Q16539 2/20 0.46
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
ENPP2 Q13822 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
SCHEMBL7869835 0.84 MAPT (0.49) MAPTLMNALIPEPOLBKMT2A
Hydrochloric Acid SCHEMBL7868843 0.84 PTGDR2 (0.45) MAPTLMNALIPEPOLBKMT2A
SCHEMBL7869785 0.83 HRH3 (0.49) MAPTLMNALIPEPOLBKMT2A
Hydrochloric Acid SCHEMBL7862079 0.83 MAPT (0.48) MAPTLMNALIPEPOLBKMT2A
Hydrochloric Acid SCHEMBL7866529 0.82 HRH3 (0.48) MAPTLMNALIPEPOLBKMT2A
Hydrochloric Acid SCHEMBL7862065 0.82 MAPT (0.49) MAPTLMNAPOLBKMT2AALDH1A1
SCHEMBL7866988 0.78 ENPP3 (0.60) MAPTLMNAPOLBKMT2AALDH1A1
Hydrochloric Acid SCHEMBL7869908 0.77 NAMPT (0.43) ABL1MAPTLMNAPOLBKMT2A
SCHEMBL7866937 0.77 ACACB (0.45) ABL1MAPTLMNAPOLBKMT2A
SCHEMBL7869933 0.76 KMT2A (0.58) MAPTLMNAKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300368-B1 FOR THERAPY OF ATRIAL ARRHYTHMIA MITSUI CHEMICALS, INC. (JP) 2001-10-09 US disclosed
EP-0968999-A1 Anilide derivatives and antiarrhythmic agents containing the same Mitsui Chemicals, Inc. (JP) 2000-01-05 EP disclosed