SCHEMBL11049073

SCHEMBL11049073

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP9 P14780 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
RARB P10826 1/20 0.43
SLC15A1 P46059 1/20 0.41

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
SCHEMBL19897249 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1TDP1HPGD
SCHEMBL11048771 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1TDP1HPGD
SCHEMBL27696359 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1TDP1HPGD
SCHEMBL11043248 0.97 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1TDP1HPGD
SCHEMBL16670457 0.96 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TDP1HPGD
SCHEMBL16670547 0.96 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TDP1HPGD
SCHEMBL20694850 0.96 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TDP1HPGD
SCHEMBL28377873 0.93 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1HPGD
SCHEMBL31647594 0.92 EPHX2 (0.46) L3MBTL1TDP1MMP9EPHX2RARB
SCHEMBL11048345 0.90 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1TDP1HPGD

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