SCHEMBL9265153

SCHEMBL9265153

OCCCC/C=C\c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.68
KMT2A Q03164 3/20 0.58
CHRNB2 P17787 2/20 0.58
CHRNA4 P43681 2/20 0.58
MEN1 O00255 2/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA7 P36544 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX15 P16050 1/20 0.58
CYP2C19 P33261 1/20 0.58
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL9265164 1.00 TBXAS1 (0.68) TBXAS1KMT2ACHRNB2CHRNA4MEN1
SCHEMBL22978671 0.95 TBXAS1 (0.66) TBXAS1KMT2ACHRNB2CHRNA4MEN1
SCHEMBL2002837 0.82 TBXAS1 (0.62) TBXAS1KMT2ACHRNB2CHRNA4MEN1
SCHEMBL2002836 0.82 TBXAS1 (0.62) TBXAS1KMT2ACHRNB2CHRNA4MEN1
SCHEMBL27624949 0.82 TBXAS1 (0.62) TBXAS1KMT2ACHRNB2CHRNA4MEN1
SCHEMBL10981660 0.82 TBXAS1 (0.62) TBXAS1KMT2ACHRNB2CHRNA4MEN1
SCHEMBL10984953 0.82 TBXAS1 (0.62) TBXAS1KMT2ACHRNB2CHRNA4MEN1
SCHEMBL10984950 0.82 TBXAS1 (0.62) TBXAS1KMT2ACHRNB2CHRNA4MEN1
SCHEMBL29187188 0.82 TBXAS1 (0.62) TBXAS1KMT2ACHRNB2CHRNA4MEN1
SCHEMBL10981662 0.82 TBXAS1 (0.62) TBXAS1KMT2ACHRNB2CHRNA4MEN1

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-5428168-A Substituted butyrolactol ether derivative BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-06-27 US disclosed
EP-0619807-A1 NEW BHT ETHER COMPOUNDS AND THEIR USE AS HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC DRUGS MERTZ + CO., GMBH & CO (DE) 1994-10-19 EP disclosed
US-5254549-A New BHT ether compounds and their use as hypolipidemic and antiatherosclerotic drugs MERZ & CO. GMBH & CO. (DE) 1993-10-19 US disclosed
WO-1993012089-A1 NEW BHT ETHER COMPOUNDS AND THEIR USE AS HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC DRUGS MERZ + CO., GMBH & CO. (DE) 1993-06-24 WO disclosed
EP-0527817-A1 GAMMA-BUTYROLACTOL ETHER DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-24 EP disclosed
WO-1991017157-A1 GAMMA-BUTYROLACTOL ETHER DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1991-11-14 WO disclosed