SCHEMBL453399

SCHEMBL453399

CCCCCCCCCCCCCCCCCCOc1cc([N+](=O)[O-])cc(OC(O)CCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.46
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PPARG P37231 4/20 0.39
PPARA Q07869 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ESR1 P03372 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL461143 0.86 CYP19A1 (0.56) CYP19A1CYSLTR2CYSLTR1MAPTTHRA
SCHEMBL462104 0.86 CYP19A1 (0.56) CYP19A1CYSLTR2CYSLTR1MAPTTHRA
SCHEMBL14118062 0.80 CYP19A1 (0.49) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL455289 0.80 CYP19A1 (0.39) CYP19A1CYSLTR2CYSLTR1MAPTL3MBTL1
SCHEMBL452408 0.76 PPARG (0.46) CYSLTR2CYSLTR1MAPTPPARGPPARA
SCHEMBL28755282 0.71 MGLL (0.51) MAPTL3MBTL1CRHBPCRHR2
SCHEMBL13241643 0.71 ALOX5 (0.53) MAPTESR1LMNASMN1; SMN2
SCHEMBL3869453 0.71 HTT (0.45) MAPTL3MBTL1ESR1SMN1; SMN2
SCHEMBL9165752 0.71 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTTHRA
SCHEMBL1609478 0.71 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTTHRA

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