SCHEMBL6895986

SCHEMBL6895986

COc1ccc(CNC[C@H](O)[CH]Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ATM Q13315 1/20 0.51
DNM1 Q05193 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.48
ANPEP P15144 1/20 0.48
ERAP2 Q6P179 1/20 0.48
BCHE P06276 1/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.45
LTA4H P09960 1/20 0.45

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
SCHEMBL7111374 0.88 HTT (0.52) MEN1KMT2ADNM1ALDH1A1HTT
SCHEMBL5219600 0.87 ANPEP (0.46) MEN1KMT2ADNM1ALDH1A1ANPEP
SCHEMBL7054663 0.87 DNM1 (0.55) MEN1KMT2ADNM1ALDH1A1HTT
SCHEMBL27593038 0.87 DNM1 (0.55) MEN1KMT2ADNM1ALDH1A1HTT
SCHEMBL7118780 0.85 BCHE (0.61) MEN1KMT2AATMBCHEMAPK1
SCHEMBL7051763 0.84 BCHE (0.59) MEN1KMT2ADNM1ALDH1A1HTT
SCHEMBL7051118 0.83 OPRD1 (0.47) MEN1KMT2ADNM1ALDH1A1ANPEP
SCHEMBL7112618 0.81 DNM1 (0.49) MEN1KMT2ADNM1ALDH1A1HTT
SCHEMBL27576822 0.81 DNM1 (0.49) MEN1KMT2ADNM1ALDH1A1HTT
SCHEMBL7055848 0.81 DNM1 (0.49) MEN1KMT2ADNM1ALDH1A1HTT

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