SCHEMBL3720567

SCHEMBL3720567

[c]1ccc2c(c1)CC=C(Oc1ccc(NCC3CC3)cc1)N2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL3720570 0.67 ACHE (0.33) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL1615309 0.65 CARM1 (0.39) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL1282974 0.62 ACHE (0.50) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL12985890 0.60
SCHEMBL12471012 0.60 CARM1 (0.39) ACHEBACE1
SCHEMBL11934739 0.60 MAPT (0.48) ALDH1A1MAPTACHEBACE1
SCHEMBL13438624 0.60 MAPT (0.48) ALDH1A1MAPTACHEBACE1
SCHEMBL694781 0.58 ALDH1A1 (0.43) ALDH1A1
SCHEMBL31757640 0.58 POLB (0.52) KDM4EALDH1A1MAPTACHEBACE1
SCHEMBL11935195 0.57 GAA (0.58) KDM4EALDH1A1GAAMAPTMAPK1

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed