SCHEMBL22017059

SCHEMBL22017059

O=C(CCI)OCc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 2/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CA2 P00918 2/20 0.41
CAMK2A Q9UQM7 1/20 0.41
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL27626309 0.88 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL9840777 0.85 ALDH1A1 (0.63) MEN1KMT2ALMNAALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL28215437 0.83 ALDH1A1 (0.61) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL20206660 0.81 MEN1 (0.53) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL22435386 0.81 MEN1 (0.53) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL10438809 0.79 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL15164371 0.79 MEN1 (0.52) MEN1KMT2A
SCHEMBL128368 0.77 HSD17B3 (0.54) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL305392 0.77 TDP1 (0.68) LMNAALDH1A1MAPK1L3MBTL1APP
SCHEMBL27981287 0.77 MEN1 (0.49) MEN1KMT2ALMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653660-A1 THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER, THERMALLY CONDUCTIVE MATERIAL FORMATION COMPOSITION, DISC-SHAPED LIQUID CRYSTAL COMPOUND FUJIFILM Corporation (JP) 2020-05-20 EP disclosed