SCHEMBL20045032

SCHEMBL20045032

O=C(O)CCc1ccc(CO)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
FFAR1 O14842 8/20 0.48
KEAP1 Q14145 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
IAPP P10997 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RGS12 O14924 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL18541177 0.86 PKM (0.51) POLBFFAR1KEAP1CA1CA2
SCHEMBL15355980 0.85 FFAR1 (0.52) POLBFFAR1KEAP1CA1CA2
SCHEMBL7581192 0.84 FFAR1 (0.52) FFAR1KEAP1CYP1A2CYP2D6CYP2C19
SCHEMBL1674013 0.84 KDM4E (0.47) IAPPCYP1A2KDM4ELMNAGAA
Dihydrocaffeic Acid SCHEMBL29351390 0.81 IAPP (0.65) POLBFFAR1KEAP1IAPPCYP2D6
Dihydrocaffeic Acid SCHEMBL7058919 0.81 IAPP (0.65) POLBFFAR1KEAP1IAPPCYP2D6
Dihydrocaffeic Acid SCHEMBL245530 0.81 IAPP (0.65) POLBFFAR1KEAP1IAPPCYP2D6
SCHEMBL28413322 0.80 POLB (0.48) POLBFFAR1KEAP1CA1CA2
SCHEMBL28260992 0.79 FFAR1 (0.46) FFAR1KEAP1CA1CA2CYP1A2
SCHEMBL30159367 0.79 NPSR1 (0.53) FFAR1KEAP1FFAR4

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-2018065450-A1 FLEXIBLE AND MULTI-FUNCTIONAL COACERVATES AND HYDROGEL MATERIALS AARHUS UNIVERSITET (DK) 2018-04-12 WO disclosed