SCHEMBL455289

SCHEMBL455289

C=CC(=O)OC(CCCCCCCCCCCCCCCCC)Oc1cc([N+](=O)[O-])cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
PPARG P37231 2/20 0.34
ESR1 P03372 1/20 0.34
PPARA Q07869 1/20 0.34
S1PR3 Q99500 1/20 0.33
PLA2G4B P0C869 1/20 0.33
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL453399 0.80 CYP19A1 (0.46) CYP19A1CYSLTR2CYSLTR1MAPTL3MBTL1
SCHEMBL461143 0.78 CYP19A1 (0.56) CYP19A1CYSLTR2CYSLTR1MAPTTHRA
SCHEMBL462104 0.78 CYP19A1 (0.56) CYP19A1CYSLTR2CYSLTR1MAPTTHRA
SCHEMBL16469654 0.75 THRB (0.36) THRATHRBPPARGPPARAMEN1
SCHEMBL14118062 0.73 CYP19A1 (0.49) CYP19A1CYSLTR2CYSLTR1MAPTMEN1
SCHEMBL6860688 0.70 PTPN11 (0.43) PLA2G4B
SCHEMBL4578058 0.70 TSHR (0.48) MAPTTHRATHRBLMNACYP3A4
SCHEMBL786290 0.70 TSHR (0.48) MAPTTHRATHRBLMNACYP3A4
SCHEMBL486802 0.70 TSHR (0.48) MAPTTHRATHRBLMNACYP3A4
SCHEMBL542079 0.70 TSHR (0.48) MAPTTHRATHRBLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968591-B2 Organic piezoelectric material, ultrasound transducer, ultrasound probe, and ultrasound medical diagnostic imaging system KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2015-03-03 US disclosed
US-20120065516-A1 ORGANIC PIEZOELECTRIC MATERIAL, ULTRASOUND TRANSDUCER, ULTRASOUND PROBE, AND ULTRASOUND MEDICAL DIAGNOSTIC IMAGING SYSTEM KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2012-03-15 US disclosed