SCHEMBL27724366

SCHEMBL27724366

CCc1cccc(CNCC(O)[CH]Cc2ccc(CO)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
BACE1 P56817 12/20 0.38
BCHE P06276 4/20 0.38
CTSD P07339 2/20 0.37
CTSB P07858 6/20 0.36
LMNA P02545 1/20 0.35
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL27579544 0.94 ADRB2 (0.42) ADRB2BACE1BCHECTSDCTSB
SCHEMBL28748406 0.90 MEN1 (0.39) ADRB2BACE1BCHECTSDCTSB
SCHEMBL3351919 0.84 BACE1 (0.46) BACE1CTSDCTSB
SCHEMBL6647479 0.84 BACE1 (0.46) BACE1CTSDCTSB
SCHEMBL27593079 0.79 ABL1 (0.37) BACE1CTSD
SCHEMBL7111374 0.76 HTT (0.52) BACE1BCHECTSDLMNAALDH1A1
SCHEMBL5219600 0.76 ANPEP (0.46) BCHELMNAALDH1A1MEN1KMT2A
SCHEMBL27629843 0.75 LMNA (0.63) LMNAMEN1KMT2A
SCHEMBL27629795 0.75 LMNA (0.43) BACE1BCHELMNA
SCHEMBL7054663 0.74 DNM1 (0.55) BACE1BCHECTSDALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 CN claimed
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 CN disclosed
CN-101090883-A Substituted hydroxyethylamines ELAN PHARM INC (US) 2007-12-19 CN disclosed
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 CN disclosed