SCHEMBL21597987

SCHEMBL21597987

O=C(O)[C@@H]1OC(c2ccccc2)O[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
SUCNR1 Q9BXA5 1/20 0.48
EDNRA P25101 1/20 0.42
TSHR P16473 1/20 0.42
SIRT1 Q96EB6 5/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C19 P33261 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
HDAC4 P56524 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL8743680 1.00 EPHX1 (0.48) EPHX1SUCNR1EDNRATSHRSIRT1
SCHEMBL9234399 0.83 FFAR1 (0.53) MEN1KMT2ALMNA
SCHEMBL8921513 0.81 SUCNR1 (0.42) SUCNR1CYP2C19CYP1A2CYP2C9HDAC4
SCHEMBL29306460 0.80 EPHX1 (0.38) EPHX1SUCNR1EDNRATSHRSIRT1
SCHEMBL9458781 0.79 EPHX1 (0.67) EPHX1SUCNR1EDNRATSHRMEN1
SCHEMBL4071198 0.79 EPHX1 (0.67) EPHX1SUCNR1EDNRATSHRMEN1
SCHEMBL6689012 0.79 EPHX1 (0.67) EPHX1SUCNR1EDNRATSHRMEN1
SCHEMBL1692473 0.79 EPHX1 (0.67) EPHX1SUCNR1EDNRATSHRMEN1
SCHEMBL2533818 0.79 EPHX1 (0.67) EPHX1SUCNR1EDNRATSHRMEN1
SCHEMBL15307543 0.79 EPHX1 (0.67) EPHX1SUCNR1EDNRATSHRMEN1

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
WO-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 WO disclosed