SCHEMBL28484347

SCHEMBL28484347

CCCCCc1cc(O)cc(O)c1C(=O)OC(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.63
TOP2A P11388 1/20 0.63
PTPN1 P18031 5/20 0.58
MAPK10 P53779 1/20 0.54
FLT3 P36888 1/20 0.53
PTPN11 Q06124 3/20 0.50
PTPN2 P17706 1/20 0.50
ALOX5 P09917 5/20 0.44
NR4A1 P22736 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
TYR P14679 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 2/20 0.44

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
SCHEMBL29683894 0.84 PTGES (0.67) PTGESTOP2APTPN1MAPK10PTPN11
SCHEMBL2762730 0.84 PTGES (0.67) PTGESTOP2APTPN1MAPK10PTPN11
SCHEMBL29979434 0.83 PTGES (0.66) PTGESTOP2APTPN1MAPK10PTPN11
SCHEMBL8750720 0.83 PTGES (0.66) PTGESTOP2APTPN1MAPK10PTPN11
SCHEMBL8402307 0.82 PTPN1 (0.66) PTGESTOP2APTPN1MAPK10PTPN11
SCHEMBL8400549 0.82 PTPN1 (0.66) PTGESTOP2APTPN1MAPK10PTPN11
SCHEMBL32682114 0.81 PTGES (0.56) PTGESTOP2APTPN1MAPK10PTPN11
SCHEMBL24206472 0.80 PTGES (0.61) PTGESTOP2APTPN1MAPK10PTPN11
SCHEMBL9909323 0.79 PTPN1 (0.78) PTGESTOP2APTPN1PTPN11PTPN2
SCHEMBL29367141 0.79 PTPN1 (0.78) PTGESTOP2APTPN1PTPN11PTPN2

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-112047815-A Preparation method of cannabidiol compound 成都海博为药业有限公司 2020-12-08 CN disclosed