SCHEMBL11368295

SCHEMBL11368295

OCc1ccc(CNCCc2ccccc2)o1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MPO P05164 2/20 0.50
▸ SIGMAR1 Q99720 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ BCHE P06276 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL28807804 0.84 CA1 (0.59) GAAMAPTCA1CA2MEN1
SCHEMBL23121534 0.82 GAA (0.44) GAAMAPTMPOSIGMAR1CA1
SCHEMBL6142706 0.80 CHRM2 (0.60) GAAMAPTMPOSIGMAR1BCHE
Sulfuric Acid SCHEMBL28807803 0.78 CA2 (0.68) GAAMAPTKDM4EALDH1A1CA1
SCHEMBL11359616 0.75 CHRM2 (0.44) MAPTKDM4EALDH1A1CA1CA2
SCHEMBL10742212 0.75 CYP1A2 (0.49) GAAMAPTMPOSIGMAR1ALDH1A1
SCHEMBL16296096 0.74 CA1 (0.64) GAAMAPTSIGMAR1CA1CA2
SCHEMBL27228 0.73 GAA (0.95) GAAMAPTMPOSIGMAR1KDM4E
SCHEMBL21049878 0.72 GAA (0.63) GAAMAPTMPOSIGMAR1KDM4E
SCHEMBL29802812 0.72 CA12 (0.64) GAAMAPTMPOSIGMAR1ALDH1A1

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
US-4279819-A GASTROINTESTINAL DISORDERS ALLEN & HANBURYS LTD. (GB) 1981-07-21 — — US disclosed
US-4255440-A ANTIALLERGENS, ANTIULCER AGENTS ALLEN & HANBURYS LIMITED (GB) 1981-03-10 — — US disclosed
US-4169855-A ANTIHISTAMINES, ANTISECRETORY AGENTS Allen & Hansbury, Limited (GB) 1979-10-02 — — US disclosed
US-4128658-A HISTAMINE ANTAGONISTS ALLEN & HANBURYS LIMITED (GB) 1978-12-05 — — US disclosed
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