SCHEMBL462104

SCHEMBL462104

CCCCCCCCCCCCOc1cc([N+](=O)[O-])cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.56
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ESR1 P03372 1/20 0.43
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G4B P0C869 1/20 0.40

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 1.00 CYP19A1 (0.56) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL14118062 0.93 CYP19A1 (0.49) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL453399 0.86 CYP19A1 (0.46) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL9167621 0.83 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL9165752 0.83 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL17208973 0.83 GRIN2D (0.49) CYP19A1CYSLTR2CYSLTR1MAPTTHRA
SCHEMBL9127581 0.83 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL1609478 0.83 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL30292299 0.83 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL17817183 0.83 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTLMNA

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