SCHEMBL7140170

SCHEMBL7140170

Nc1ccc(-c2ccc(CCCO)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.54
MAOB P27338 5/20 0.54
CA2 P00918 3/20 0.50
CYP3A4 P08684 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
MAOA P21397 2/20 0.46
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP4A11 Q02928 1/20 0.43
TSHR P16473 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL979851 0.93 GFER (0.62) GFERMAOBCA2CYP3A4TDP1
SCHEMBL3535251 0.89 CA2 (0.54) CA2TDP1ALDH1A1CYP4A11LTA4H
SCHEMBL7143471 0.86 GFER (0.59) GFERMAOBCA2CYP3A4TDP1
SCHEMBL4281793 0.86 MAOB (0.64) GFERMAOBCA2CYP3A4TDP1
SCHEMBL10357817 0.84 MAOB (0.61) GFERMAOBCA2CYP3A4TDP1
SCHEMBL4300050 0.84 MAOB (0.61) GFERMAOBCA2CYP3A4TDP1
SCHEMBL2380716 0.84 MAOB (0.61) GFERMAOBCA2CYP3A4TDP1
SCHEMBL1452380 0.84 MAOB (0.61) GFERMAOBCA2CYP3A4TDP1
SCHEMBL9806863 0.84 MAOB (0.61) GFERMAOBCA2CYP3A4TDP1
SCHEMBL21388693 0.84 MAOB (0.67) GFERMAOBCYP3A4TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 EP disclosed
EP-0671928-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2002-11-27 EP disclosed
EP-1258492-A1 N-substituted oligomers and methods for their synthesis, e.g. polyglycine bearing nucleic acid bases CHIRON CORPORATION (US) 2002-11-20 EP disclosed
US-5977301-A AUTOMATED AND EFFICIENT SYNTHESIS BY REACTING SOLID SUPPORT BOUND AMINE WITH AN ACYLATING SUBMONOMER TO PRODUCE A SOLID SUPPORT-BOUND AMIDE WHICH CAN BE FURTHER REACTED; ONLY REACTIVE SIDE CHAINS NEED PROTECTED CHIRON CORPORATION (US) 1999-11-02 US disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
US-5831005-A ACYLATION, NUCLEOPHILIC DISPLACEMENT CYCLES CHIRON CORPORATION (US) 1998-11-03 US disclosed
EP-0671928-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS. CHIRON CORP (US) 1997-04-23 EP disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO disclosed