SCHEMBL11378317

SCHEMBL11378317

[CH2]COc1cc(OC)c(Cl)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 2/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33

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
SCHEMBL11042512 0.81 TUBB1 (0.49) CA9TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11584497 0.79 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL15883267 0.77 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL11584500 0.76 TUBB1 (0.35) CA12CA1CA2CA7CA9
SCHEMBL2091097 0.75 CA2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL3166151 0.75 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL10913701 0.75 MAPT (0.44) CA12CA1CA2CA7CA9
SCHEMBL9663366 0.74 MCL1 (0.52) POLBKMT2AALDH1A1HPGDGAA
SCHEMBL11377273 0.74 CA2 (0.40) CA2POLBALDH1A1GAAKDM4E
SCHEMBL7470873 0.71 MAOB (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-4302588-A 5-(3-SUBSTITUTED AMINO)-2-HYDROXY-PROPYLOXY)-8-HYDROXY OR ALKOXY-CARBOSTYRILS, ADRENERGIC BLOCKING AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-24 US disclosed
US-4289883-A ADRENERGIC BLOCKING AGENTS OF EXCELLENT CARDIOSELECTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-15 US disclosed
US-4210753-A TREATMENT OF CARDIAC DISORDERS AND CHRONIC LUNG DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-07-01 US disclosed
US-4147869-A ADRENERGIC BLOCKING AGENTS FOR TREATMENT OF ANGINA PECTORIS, ARRHYTHMIA AND HYPERTENSION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1979-04-03 US disclosed