SCHEMBL29130802

SCHEMBL29130802

CC(C)(C)c1ccc(OCC(CO)(CO)CO)c(C(C)(C)C)c1.OCC(CO)(CO)CO.OP(O)OP(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
CYP2C19 P33261 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MAPK1 P28482 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 4/20 0.34
APEX1 P27695 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RBP4 P02753 1/20 0.32
RXRA P19793 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
SCHEMBL28017837 0.99 TRPV1 (0.40) TRPV1CYP2C19PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL9933418 0.93 TRPV1 (0.41) TRPV1CYP2C19PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL6458781 0.93 TRPV1 (0.41) TRPV1CYP2C19PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL8928289 0.93 TRPV1 (0.41) TRPV1CYP2C19PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL992037 0.92 TRPV1 (0.41) TRPV1CYP2C19PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL7081344 0.88 TRPV1 (0.39) TRPV1CYP2C19PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL8928288 0.88 TRPV1 (0.39) TRPV1CYP2C19PTGDR2ALDH1A1SMN1; SMN2
Phosphoric Acid SCHEMBL27934568 0.85 TRPV1 (0.42) TRPV1CYP2C19PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL8928285 0.83 TRPV1 (0.37) TRPV1CYP2C19PTGDR2ALDH1A1SMN1; SMN2
Pyrophosphoric Acid SCHEMBL18725859 0.82 TRPV1 (0.40) TRPV1CYP2C19PTGDR2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116806246-A Optical adhesive tape 日东电工株式会社 2023-09-26 CN disclosed