SCHEMBL19624331

SCHEMBL19624331

CCCOc1ccc(OCC(CCC)CCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PLK1 P53350 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 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
SCHEMBL4568773 0.85 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1MAPK1
1,4-Dipropoxybenzene SCHEMBL122039 0.80 LTA4H (0.67) LTA4HCA12CA1CA2CA7
SCHEMBL13808346 0.78 LTA4H (0.64) LTA4HCA12CA1CA2CA7
SCHEMBL13464271 0.77 CYP2C9 (0.47) CA12CA1CA2CA7CA9
SCHEMBL18088219 0.77 USP2 (0.42) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL19624369 0.77 USP2 (0.43) CA1CA2CA7CA9MEN1
SCHEMBL7929606 0.76 LTA4H (0.48) LTA4HCA12CA1CA2CA7
SCHEMBL13845205 0.76 FFAR1 (0.50) LTA4HCA12CA1CA2CA7
1-Butyloxy-4-Propoxybenzene SCHEMBL23828869 0.75 LTA4H (0.64) LTA4HCA12CA1CA2CA7
1,4-Dipropoxybenzene SCHEMBL10846150 0.75 LTA4H (0.64) LTA4HCA12CA1CA2CA7

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-3246330-A1 IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS Istituto Europeo di Oncologia S.r.l. (IT) 2017-11-22 EP disclosed