SCHEMBL22622262

SCHEMBL22622262

COc1cc(CCC(=O)O)ccc1OCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
PPARA Q07869 2/20 0.60
FFAR4 Q5NUL3 5/20 0.56
FFAR1 O14842 4/20 0.54
APP P05067 1/20 0.53
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
PLA2G4A P47712 1/20 0.50
FFAR2 O15552 1/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX5 P09917 1/20 0.49
OR51E2 Q9H255 1/20 0.49

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
SCHEMBL31322145 0.92 ALOX5 (0.62) LMNAPPARAFFAR4FFAR1APP
SCHEMBL3693650 0.91 LMNA (0.60) LMNAPPARAFFAR4FFAR1APP
SCHEMBL5687906 0.91 PPARA (0.57) LMNAPPARAFFAR4FFAR1APP
SCHEMBL347209 0.89 FFAR4 (0.61) FFAR4FFAR1PLA2G4AKMT2AALDH1A1
SCHEMBL3690496 0.88 CALM1 (0.60) PPARAFFAR4FFAR1APPHDAC1
SCHEMBL8133000 0.88 KDM4E (0.57) LMNAPPARAFFAR4FFAR1APP
Hydrochloric Acid SCHEMBL3225386 0.87 FFAR4 (0.59) FFAR4FFAR1PLA2G4AKMT2AALDH1A1
SCHEMBL9178046 0.87 FFAR4 (0.55) PPARAFFAR4FFAR1APPPLA2G4A
SCHEMBL3974023 0.85 FFAR4 (0.51) LMNAPPARAFFAR4FFAR1APP
SCHEMBL5209587 0.84 APP (0.73) FFAR4FFAR1APPHDAC1HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3962985-B1 POLYESTERS FROM LIGNIN-BASED MONOMERS VITO NV (BE) 2023-06-07 EP disclosed
US-20220213264-A1 POLYESTERS FROM LIGNIN-BASED MONOMERS VITO NV (BE) 2022-07-07 US disclosed
WO-2020221730-A1 POLYESTERS FROM LIGNIN-BASED MONOMERS VITO NV (BE) 2020-11-05 WO disclosed
EP-3733733-A1 POLYESTERS FROM LIGNIN-BASED MONOMERS Vito NV (BE) 2020-11-04 EP disclosed