SCHEMBL9547466

SCHEMBL9547466

COc1ccccc1OCCCCCCl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.65
TDP1 Q9NUW8 3/20 0.65
ALDH1A1 P00352 3/20 0.62
HSD17B10 Q99714 3/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 5/20 0.54
HPGD P15428 4/20 0.54
MAPK1 P28482 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2D6 P10635 1/20 0.53
KMT2A Q03164 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL5659890 0.98 L3MBTL1 (0.67) L3MBTL1TDP1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1545294 0.92 L3MBTL1 (0.63) L3MBTL1TDP1ALDH1A1HSD17B10SMN1; SMN2
Water SCHEMBL10556855 0.90 L3MBTL1 (0.61) L3MBTL1TDP1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29742239 0.89 L3MBTL1 (0.77) L3MBTL1TDP1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11090671 0.89 KDM4E (0.50) L3MBTL1TDP1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4427769 0.88 L3MBTL1 (0.59) L3MBTL1TDP1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL30960112 0.88 L3MBTL1 (0.59) L3MBTL1TDP1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11091669 0.87 KDM4E (0.52) L3MBTL1TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL29742293 0.85 L3MBTL1 (0.70) L3MBTL1TDP1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11022671 0.85 SMN1; SMN2 (0.50) L3MBTL1TDP1ALDH1A1HSD17B10SMN1; SMN2

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
US-5246965-A Leukotriene antagonist CIBA-GEIGY (US) 1993-09-21 US disclosed