SCHEMBL21635601

SCHEMBL21635601

CCCCCCOC(=O)c1ccc(CP(=O)(OCC)OCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
S1PR2 O95136 1/20 0.56
S1PR1 P21453 1/20 0.56
S1PR3 Q99500 1/20 0.56
LPAR2 Q9HBW0 1/20 0.56
TSHR P16473 4/20 0.51
LMNA P02545 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
ESR1 P03372 2/20 0.51
CYP2D6 P10635 1/20 0.51
MAPK1 P28482 1/20 0.51
NR1H2 P55055 1/20 0.51
RNASEL Q05823 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
STS P08842 6/20 0.51
CYP3A4 P08684 1/20 0.50

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
SCHEMBL510962 0.84 MEN1 (0.56) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL15987948 0.81 ALDH1A1 (0.73) ALDH1A1MAPTNPC1RAB9AS1PR2
SCHEMBL28591231 0.81 ALDH1A1 (0.73) ALDH1A1MAPTNPC1RAB9AS1PR2
SCHEMBL10980499 0.81 ALDH1A1 (0.73) ALDH1A1MAPTNPC1RAB9AS1PR2
SCHEMBL10985866 0.81 ALDH1A1 (0.73) ALDH1A1MAPTNPC1RAB9AS1PR2
SCHEMBL9355782 0.81 ALDH1A1 (0.83) ALDH1A1MAPTNPC1RAB9ATSHR
SCHEMBL108412 0.81 ALDH1A1 (0.83) ALDH1A1MAPTNPC1RAB9ATSHR
SCHEMBL10591672 0.81 ALDH1A1 (0.83) ALDH1A1MAPTNPC1RAB9ATSHR
SCHEMBL197446 0.81 ALDH1A1 (0.83) ALDH1A1MAPTNPC1RAB9ATSHR
SCHEMBL108532 0.81 ALDH1A1 (0.83) ALDH1A1MAPTNPC1RAB9ATSHR

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-20200050122-A1 IMAGE RECORDING COMPOSITION, ELECTROSTATIC IMAGE DEVELOPING TONER, AND IMAGE FORMING METHOD Konica Minolta, Inc. (JP) 2020-02-13 US disclosed
US-10551760-B1 Image recording composition, electrostatic image developing toner, and image forming method Konica Minolta, Inc. (JP) 2020-02-04 US disclosed