SCHEMBL9520750

SCHEMBL9520750

COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1.N#Cc1ccc(C=CC(=O)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.73
▸ ALDH1A1 P00352 3/20 0.73
▸ LMNA P02545 2/20 0.73
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ BCHE P06276 2/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ NFKB2 Q00653 1/20 0.65
▸ RELA Q04206 1/20 0.65
▸ ABCG2 Q9UNQ0 2/20 0.64
▸ MAOB P27338 3/20 0.61
▸ P4HB P07237 2/20 0.60
▸ CYP1B1 Q16678 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ HSPD1 P10809 1/20 0.58
▸ TNFRSF1A P19438 1/20 0.58
▸ HSPE1 P61604 1/20 0.58
▸ CYP1A1 P04798 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57

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
SCHEMBL9520743 1.00 MAPT (0.73) MAPTALDH1A1LMNAL3MBTL1BCHE
SCHEMBL14318031 0.90 ABCG2 (0.80) MAPTALDH1A1LMNAL3MBTL1BCHE
SCHEMBL8987059 0.87 BCHE (0.78) MAPTALDH1A1LMNABCHECYP3A4
SCHEMBL8987057 0.87 BCHE (0.78) MAPTALDH1A1LMNABCHECYP3A4
SCHEMBL14306001 0.86 ABCG2 (0.82) MAPTALDH1A1LMNAL3MBTL1BCHE
SCHEMBL8987364 0.85 MAPT (1.00) MAPTALDH1A1LMNAL3MBTL1BCHE
SCHEMBL3359288 0.85 MAPT (1.00) MAPTALDH1A1LMNAL3MBTL1BCHE
SCHEMBL14318118 0.84 F3 (0.77) MAPTALDH1A1LMNAL3MBTL1BCHE
SCHEMBL27903979 0.84 F3 (0.77) MAPTALDH1A1LMNAL3MBTL1BCHE
SCHEMBL15807423 0.82 ABCG2 (0.68) MAPTALDH1A1LMNAL3MBTL1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 — — EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 — — WO disclosed
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