SCHEMBL6895074

SCHEMBL6895074

COCCNC(c1ccccc1)C(N)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
ALDH1A1 P00352 8/20 0.41
LMNA P02545 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ANPEP P15144 1/20 0.38
AOC3 Q16853 1/20 0.37
MAPT P10636 3/20 0.36
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6896045 0.92 ALDH1A1 (0.49) HPGDALDH1A1LMNAADRA2AADRA2C
SCHEMBL6890858 0.86 SIGMAR1 (0.50) ALDH1A1LMNA
SCHEMBL6890899 0.85 AOC3 (0.36) ALDH1A1LMNAADRA2AADRA2CHIF1A
SCHEMBL6894568 0.82 CYP3A4 (0.44) ALDH1A1LMNAADRA2AADRA2CHIF1A
SCHEMBL9728882 0.81 HPGD (0.49) HPGDALDH1A1LMNAADRA2AADRA2C
SCHEMBL6889436 0.81 SIGMAR1 (0.49) ALDH1A1LMNAADRA2AHIF1AANPEP
SCHEMBL6891363 0.79 KMT2A (0.55) ALDH1A1KDM4EANPEPTDP1
SCHEMBL6895263 0.78 KDM4E (0.43) ALDH1A1LMNAADRA2AADRA2CHIF1A
SCHEMBL6894924 0.78 KDM4E (0.43) ALDH1A1LMNAADRA2AADRA2CHIF1A
SCHEMBL6887458 0.78 SIGMAR1 (0.51)

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