SCHEMBL9535019

SCHEMBL9535019

Oc1cccc2c1OCCCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
MTNR1A P48039 5/20 0.39
ADRB1 P08588 1/20 0.39
LMNA P02545 2/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL9534791 0.96 KDM4E (0.42) KDM4ECHRNB4CHRNA3ITGB2ICAM1
SCHEMBL461998 0.91 ITGB2 (0.50) KDM4ECHRNB4CHRNA3ITGB2ICAM1
SCHEMBL11188752 0.86 SMN1; SMN2 (0.57) KDM4EITGB2ICAM1ITGALMTNR1A
SCHEMBL11194835 0.86 SMN1; SMN2 (0.57) KDM4EITGB2ICAM1ITGALMTNR1A
SCHEMBL10018030 0.79 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL118556 0.78 ABCG2 (0.50) KDM4ECHRNB4CHRNA3LMNAMAOB
SCHEMBL13516866 0.77 ITGB2 (0.42) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL28507933 0.76 BCL2L1 (0.52)
SCHEMBL5673196 0.73 BCL2L1 (0.48) ITGB2ICAM1ITGALMTNR1ALMNA
SCHEMBL31598947 0.73 BCL2L1 (0.48) ITGB2ICAM1ITGALMTNR1ALMNA

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
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed