SCHEMBL6458781

SCHEMBL6458781

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
CYP2C19 P33261 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 6/20 0.36
NPSR1 Q6W5P4 3/20 0.35
MAPK1 P28482 3/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APEX1 P27695 1/20 0.34
RXRA P19793 1/20 0.33

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
SCHEMBL9933418 1.00 TRPV1 (0.41) TRPV1CYP2C19PTGDR2ALDH1A1ALOX15
SCHEMBL8928289 1.00 TRPV1 (0.41) TRPV1CYP2C19PTGDR2ALDH1A1ALOX15
SCHEMBL992037 0.95 TRPV1 (0.41) TRPV1CYP2C19PTGDR2ALDH1A1ALOX15
SCHEMBL28017837 0.94 TRPV1 (0.40) TRPV1CYP2C19PTGDR2ALDH1A1ALOX15
SCHEMBL29130802 0.93 TRPV1 (0.39) TRPV1CYP2C19PTGDR2ALDH1A1ALOX15
SCHEMBL8928288 0.89 TRPV1 (0.39) TRPV1CYP2C19PTGDR2ALDH1A1ALOX15
SCHEMBL7081344 0.89 TRPV1 (0.39) TRPV1CYP2C19PTGDR2ALDH1A1ALOX15
Phosphoric Acid SCHEMBL27934568 0.89 TRPV1 (0.42) TRPV1CYP2C19PTGDR2ALDH1A1ALOX15
Pyrophosphoric Acid SCHEMBL18725859 0.85 TRPV1 (0.40) TRPV1CYP2C19PTGDR2ALDH1A1ALOX15
Pyrophosphoric Acid SCHEMBL27486409 0.85 TRPV1 (0.40) TRPV1CYP2C19PTGDR2ALDH1A1ALOX15

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-6846860-B2 Biodegradable plastic composition, a molded article thereof and a method for controlling biodegradation rate NISSHINBO INDUSTRIES, INC. (JP) 2005-01-25 US disclosed
US-20030228478-A1 Biodegradable plastic composition, a molded article thereof and a method for controlling biodegradation rate NISSHINBO INDUSTRIES, INC. (JP) 2003-12-11 US disclosed