SCHEMBL7449654

SCHEMBL7449654

NCCCOc1ccc(C(c2ccccc2)c2ccc(OCCCN)cc2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.44
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
TAAR1 Q96RJ0 1/20 0.40
LTA4H P09960 2/20 0.40
PLA2G2A P14555 1/20 0.40
PDK2 Q15119 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL6707321 0.88 ALDH1A1 (0.41) ESR1LTA4HPDK2DRD2DRD4
SCHEMBL5584056 0.74 TYR (0.55)
SCHEMBL6438736 0.73 FFAR1 (0.51) ESR1
SCHEMBL23082279 0.72 DRD4 (0.43) CYP19A1ESR1ESR2LTA4HDRD2
SCHEMBL50738 0.70 TYR (0.54)
SCHEMBL8766239 0.70 LTA4H (0.59) CYP19A1ESR1ESR2LTA4HDRD2
SCHEMBL1320595 0.70 TAAR1 (0.77) TAAR1LTA4HPLA2G2A
SCHEMBL5677734 0.69 LMNA (0.51) ESR1
SCHEMBL9059711 0.69 PTPN11 (0.47)
SCHEMBL23082199 0.69 MMP3 (0.42) CYP19A1ESR1ESR2LTA4HDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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