SCHEMBL8367202

SCHEMBL8367202

COc1ccc2c(CC(=O)O)onc2c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
PTGS1 P23219 1/20 0.44
PDE3A Q14432 1/20 0.44
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
APP P05067 1/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL1614082 0.75 SMN1; SMN2 (0.55) HSD17B10GAAALDH1A1KDM4EHPGD
SCHEMBL10618516 0.70 HSD17B10 (0.53) HSD17B10GAAALDH1A1KDM4EHPGD
SCHEMBL17844514 0.69 PTGS1 (0.40) PTGS2PTGS1PDE3AHSD17B10ALDH1A1
SCHEMBL151820 0.67 HSD17B10 (0.57) HSD17B10GAAALDH1A1KDM4EMEN1
SCHEMBL30969123 0.67 HSD17B10 (0.57) HSD17B10GAAALDH1A1KDM4EMEN1
SCHEMBL11739523 0.66 GAA (0.63) PTGS1HSD17B10GAAALDH1A1KDM4E
SCHEMBL9786071 0.65 HSD17B10 (0.54) HSD17B10GAAALDH1A1KDM4EHPGD
SCHEMBL28658763 0.65 HSD17B10 (0.50) HSD17B10GAAALDH1A1KDM4EHPGD
SCHEMBL149945 0.64 HSD17B10 (0.53) HSD17B10GAAALDH1A1KDM4EHPGD
SCHEMBL3328675 0.64 AKR1B1 (0.50) PTGS2PTGS1HSD17B10GAAALDH1A1

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
EP-0954596-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES PHYTON, INC. (US) 1999-11-10 EP disclosed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO disclosed