SCHEMBL7140169

SCHEMBL7140169

CCC(O)c1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
PGR P06401 1/20 0.45
CYP19A1 P11511 2/20 0.41
GRIA4 P48058 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NFKB1 P19838 2/20 0.38
HTR3A P46098 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
ADRB2 P07550 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
ADRB3 P13945 1/20 0.36
MEN1 O00255 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
SCHEMBL865098 0.94 LMNA (0.60) LMNATDP1CYP3A4ALDH1A1PGR
SCHEMBL29861210 0.89 LMNA (0.65) LMNATDP1CYP3A4ALDH1A1PGR
SCHEMBL1607138 0.82 LMNA (0.75) LMNATDP1CYP3A4ALDH1A1PGR
SCHEMBL9771901 0.81 LMNA (0.75) LMNACYP3A4PGRKDM4EMAPT
SCHEMBL9498632 0.81 LMNA (0.56) LMNATDP1CYP3A4ALDH1A1PGR
SCHEMBL13849288 0.81 ESR1 (0.56) LMNATDP1CYP3A4ALDH1A1PGR
SCHEMBL9502184 0.79 LMNA (0.54) LMNATDP1ALDH1A1PGRTSHR
SCHEMBL11312030 0.79 LMNA (0.54) LMNATDP1TP53PGRTSHR
SCHEMBL28334382 0.78 TDP1 (0.50) LMNATDP1CYP3A4ALDH1A1TP53
SCHEMBL4035560 0.78 LMNA (0.62) LMNATDP1CYP3A4ALDH1A1PGR

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 9 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
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