SCHEMBL28216646

SCHEMBL28216646

COc1ccc2c(c1)C=CC(O)(O)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.46
CA12 O43570 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
PLIN1 O60240 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
PLIN5 Q00G26 1/20 0.46
ABHD5 Q8WTS1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2C P28335 1/20 0.43
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
XDH P47989 1/20 0.40

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
SCHEMBL2009830 0.81 HIF1A (0.52) CA9CA12MAPTSMN1; SMN2MEN1
SCHEMBL7213739 0.75 MAPT (0.46) CA9CA12MAPTSMN1; SMN2MEN1
SCHEMBL10428735 0.75 MEN1 (0.43) CA9CA12MAPTSMN1; SMN2MEN1
SCHEMBL7092152 0.73 HTR2C (0.80) CA9CA12MAPTSMN1; SMN2MEN1
SCHEMBL13005007 0.72 HTR2C (0.55) CA9CA12MAPTSMN1; SMN2MEN1
SCHEMBL11594939 0.70 MAPT (0.49) CA9CA12MAPTSMN1; SMN2MEN1
SCHEMBL8684880 0.70 MAPT (0.52) CA9CA12MAPTSMN1; SMN2MEN1
SCHEMBL11556099 0.69 HTR2C (0.49) MAPTMEN1KMT2ALMNAGAA
Prococene I SCHEMBL29794343 0.68 HTR2C (0.58) CA9CA12MAPTSMN1; SMN2MEN1
Prococene I SCHEMBL118080 0.68 HTR2C (0.58) CA9CA12MAPTSMN1; SMN2MEN1

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-107929132-A The preparation method of sweet wormwood powder 蒋琴 2018-04-20 CN disclosed