SCHEMBL9558777

SCHEMBL9558777

CCCOCCOc1ccc(OCC(O)COCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PLA2G4B P0C869 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA7 P36544 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL12703746 0.85 KDM4E (0.55) KDM4ELMNATSHRRAB9ACHRNB2
SCHEMBL11243137 0.84 CA1 (0.60) CA1CA2CA7CA9LMNA
SCHEMBL11243132 0.84 CA1 (0.60) CA1CA2CA7CA9LMNA
SCHEMBL9662754 0.84 CA1 (0.64) CA1CA2CA7CA9KDM4E
SCHEMBL21344946 0.84 CA1 (0.64) CA1CA2CA7CA9POLB
SCHEMBL24180413 0.84 CA1 (0.64) CA1CA2CA7CA9POLB
SCHEMBL300081 0.84 CA1 (0.64) CA1CA2CA7CA9KDM4E
SCHEMBL9663864 0.83 CA1 (0.55) CA1CA2CA7CA9KDM4E
SCHEMBL9662174 0.83 CA1 (0.61) CA1CA2CA7CA9LMNA
SCHEMBL320403 0.82 CHRNA7 (0.58) KDM4ELMNARAB9ACHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242943-A Administering as beta adrenoceptor blocking agents Louis, William J. (AU) 1993-09-07 — — US disclosed
US-5051445-A Cardiovascular disorders such as antiarrhythmia or cardiotonic agents, adrenergic blocking agents Louis, William J. (AU) 1991-09-24 — — US disclosed
EP-0177515-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1989-05-31 — — EP disclosed
EP-0177515-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-09-23 — — EP disclosed
EP-0177515-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-04-16 — — EP disclosed
WO-1985004403-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ LTD. (CH) 1985-10-10 — — WO disclosed
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