SCHEMBL7051763

SCHEMBL7051763

COc1cccc(CNC[C@H](O)[CH]Cc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.59
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DNM1 Q05193 1/20 0.47

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
SCHEMBL7054663 0.91 DNM1 (0.55) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL27593038 0.91 DNM1 (0.55) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL7111374 0.90 HTT (0.52) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL27576822 0.88 DNM1 (0.49) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL7112618 0.88 DNM1 (0.49) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL7118780 0.88 BCHE (0.61) BCHEMEN1KMT2A
SCHEMBL7048773 0.86 DNM1 (0.54) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL7055848 0.85 DNM1 (0.49) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL7115591 0.84 DNM1 (0.48) BCHEMEN1KMT2AMAOBKDM4E
SCHEMBL7055987 0.84 HTT (0.55) BCHEMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed