SCHEMBL6705650

SCHEMBL6705650

CCCCCCCCCCCCCCCCCCc1ccc(C(O)(c2ccccc2)c2ccc(CCCCCCCCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
TACR2 P21452 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
SHBG P04278 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HSPD1 P10809 1/20 0.55
ADRB3 P13945 1/20 0.55
HTR2C P28335 1/20 0.55
HSPE1 P61604 1/20 0.55
HIF1A Q16665 1/20 0.55
TST Q16762 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL11602824 0.93 KIF11 (0.52) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11219185 0.93 ESR1 (0.62) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11219265 0.93 ESR1 (0.62) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL31589091 0.85 CA2 (0.53) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL26225 0.83 HTR2A (0.51) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4456258 0.82 RARB (0.45) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27479616 0.81 HTR2A (0.54) ESR1ADRA2AADORA3TACR2SLC6A2
Hydrogen Peroxide SCHEMBL15515419 0.81 KCNH2 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7184667 0.81 KCNH2 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL5200397 0.79 KCNH2 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2

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
US-20040116685-A1 Method for solution phase synthesis of oligonucleotides PROLIGO LLC 2004-06-17 US disclosed
EP-0996627-A4 METHOD FOR SOLUTION PHASE SYNTHESIS OF OLIGONUCLEOTIDES AND PEPTIDES PROLIGO L L C (US) 2002-01-02 EP disclosed
US-6262251-B1 PRODUCT ANCHORED SEQUENCIAL SYNTHESIS (PASS); AN ANCHOR GROUP ATTACHED TO THE 5' END OF THE GROWING OLIGONUCLEOTIDE PRODUCT ALLOWS THE COUPLED PRODUCT TO BE SEPARATED FROM UNREACTED STARTING MATERIALS PROLIGO LLC 2001-07-17 US disclosed
EP-0979233-A4 METHOD FOR SOLUTION PHASE SYNTHESIS OF OLIGONUCLEOTIDES PROLIGO L L C (US) 2001-03-21 EP disclosed
EP-0996627-A1 METHOD FOR SOLUTION PHASE SYNTHESIS OF OLIGONUCLEOTIDES AND PEPTIDES Proligo L.L.C. (US) 2000-05-03 EP disclosed
EP-0979233-A1 METHOD FOR SOLUTION PHASE SYNTHESIS OF OLIGONUCLEOTIDES NeXstar Pharmaceuticals, Inc. (US) 2000-02-16 EP disclosed
US-6001966-A REACTING N-TERMINAL PROTECTED AMINO ACID WITH PEPTIDE STARTING MATERIAL FORMING A PEPTIDE PRODUCT, PARTITIONING FROM UNREACTED MATERIAL AND REAGENTS BASED ON PRESENCE OF N-TERMINAL BLOCKING/ANCHORING GROUP PROLIGO LLC (US) 1999-12-14 US disclosed
US-5874532-A USING A N-TERMINAL PROTECTED AMINO ACID MONOMER NEXSTAR PHARMACEUTICALS, INC. (US) 1999-02-23 US disclosed
WO-1998047910-A1 METHOD FOR SOLUTION PHASE SYNTHESIS OF OLIGONUCLEOTIDES PROLIGO LLC (US) 1998-10-29 WO disclosed
EP-0863910-A1 METHOD FOR SOLUTION PHASE SYNTHESIS OF OLIGONUCLEOTIDES NeXstar Pharmaceuticals, Inc. (US) 1998-09-16 EP disclosed
WO-1998030578-A1 METHOD FOR SOLUTION PHASE SYNTHESIS OF OLIGONUCLEOTIDES AND PEPTIDES PROLIGO LLC (US) 1998-07-16 WO disclosed
WO-1997014706-A1 METHOD FOR SOLUTION PHASE SYNTHESIS OF OLIGONUCLEOTIDES NEXSTAR PHARMACEUTICALS, INC. (US) 1997-04-24 WO disclosed