SCHEMBL11048345

SCHEMBL11048345

CC(C)CCOC(=O)CCCCC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP19A1 P11511 1/20 0.48
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SLC15A1 P46059 1/20 0.44
PPARG P37231 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
LTA4H P09960 1/20 0.43
PKM P14618 1/20 0.43
CDC25B P30305 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 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
SCHEMBL16344760 0.94 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1CYP19A1
SCHEMBL28377873 0.91 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL27696359 0.90 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL19897249 0.90 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL11049073 0.90 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL11048771 0.90 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL4955877 0.89 ALDH1A1 (0.54) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL11043248 0.87 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL29875826 0.87 TDP1 (0.60) TDP1MAPK1CYP19A1LMNAHPGD
SCHEMBL4890742 0.86 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1LMNA

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-0024897-B1 CHROMOGEN SOLUTIONS AND PRESSURE-SENSITIVE MARK-RECORDING SYSTEMS MONSANTO EUROPE S.A./N.V. (BE) 1984-07-04 EP disclosed
US-4343652-A DIPHENYLMETHANOL OR DIPHENYLMETHYLAMINE DERIVATIVE, BENZYL DIESTER MONSANTO EUROPE S.A. (BE) 1982-08-10 US disclosed
EP-0024897-A2 Chromogen solutions and pressure-sensitive mark-recording systems MONSANTO EUROPE S.A./N.V. (BE) 1981-03-11 EP disclosed