SCHEMBL7143471

SCHEMBL7143471

Nc1ccc(-c2ccc(CCO)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.59
TDP1 Q9NUW8 4/20 0.52
CYP3A4 P08684 4/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
CA2 P00918 3/20 0.52
MAOB P27338 6/20 0.50
MAOA P21397 2/20 0.50
CYP19A1 P11511 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47

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
SCHEMBL6051 0.93 GFER (0.68) GFERTDP1CYP3A4ALDH1A1CA2
Nitrogen SCHEMBL28535878 0.88 GFER (0.62) GFERTDP1CYP3A4ALDH1A1CA2
SCHEMBL2044945 0.87 CA2 (0.65) TDP1ALDH1A1CA2MAOBCA12
SCHEMBL7140170 0.86 GFER (0.54) GFERTDP1CYP3A4ALDH1A1TP53
Aniline SCHEMBL28266811 0.84 MAOB (0.67) GFERTDP1CYP3A4ALDH1A1CA2
SCHEMBL8215549 0.82 GFER (0.54) GFERTDP1CYP3A4ALDH1A1CA2
SCHEMBL14488853 0.80 MAPT (0.58) GFERTDP1CYP3A4ALDH1A1CA2
SCHEMBL1449519 0.80 ALDH1A1 (0.58) GFERTDP1CYP3A4ALDH1A1CA2
SCHEMBL1309905 0.80 CYP3A4 (0.58) GFERTDP1CYP3A4ALDH1A1TP53
SCHEMBL16544040 0.80 GFER (0.65) GFERTDP1CYP3A4ALDH1A1TP53

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-0789577-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 1998-07-22 EP disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US 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