SCHEMBL6900852

SCHEMBL6900852

COc1ccccc1Oc1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA12 O43570 1/20 0.59
CA4 P22748 1/20 0.59
CA14 Q9ULX7 1/20 0.59
L3MBTL1 Q9Y468 6/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 1/20 0.58
MAPT P10636 5/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 3/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL3842507 0.88 MAPK1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL57602 0.85
SCHEMBL29424769 0.85
SCHEMBL454111 0.85 CA1 (0.81) CA1CA2CA7CA9CA12
SCHEMBL727333 0.85 ALDH1A1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL30751956 0.84 IDO1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL971122 0.83 CA1 (0.60) CA1CA2CA7CA9CA12
Ammonia Solution, Strong SCHEMBL4275178 0.83 CA1 (0.60) CA1CA2CA7CA9CA12
Phosphine SCHEMBL21796069 0.83 CA1 (0.77) CA1CA2CA7CA9CA12
Bromide SCHEMBL4665342 0.81 CA1 (0.57) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443923-A1 HYDROXY SUBSTITUTED AMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-11 EP disclosed
WO-2003037325-A1 HYDROXY SUBSTITUTED AMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-08 WO disclosed