SCHEMBL6313018

SCHEMBL6313018

[CH2]c1c(OC)cccc1-c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
CNR2 P34972 1/20 0.48
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NQO1 P15559 1/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 1/20 0.41
STK10 O94804 1/20 0.41
SLK Q9H2G2 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
SCHEMBL3598954 0.85 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28412513 0.83 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2350543 0.81 ALDH1A1 (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6313020 0.80 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18479741 0.80 PPARG (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7796061 0.79 MAPT (0.63) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11801854 0.79 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Methoxymethane SCHEMBL15104847 0.78 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25204 0.77 MAPT (0.64) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Ethylene SCHEMBL28794169 0.77 MAPT (0.57) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924301-B1 Composition for treating or preventing arrhythmia SHIONOGI & CO., LTD. (JP) 2005-08-02 US disclosed
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed
EP-1240906-A1 PREVENTIVES OR REMEDIES FOR ARRHYTHMIA SHIONOGI & CO., LTD. (JP) 2002-09-18 EP disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 EP disclosed