SCHEMBL21171917

SCHEMBL21171917

CCOC(=O)CCc1ccc(OCc2ccc(CO)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.63
CYP4A11 Q02928 2/20 0.63
FFAR1 O14842 8/20 0.54
FFAR4 Q5NUL3 4/20 0.52
CYP4Z1 Q86W10 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46

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
SCHEMBL19266379 0.91 CYP4F2 (0.77) CYP4F2CYP4A11FFAR1FFAR4CYP4Z1
SCHEMBL21171688 0.90 CYP4F2 (0.60) CYP4F2CYP4A11FFAR1FFAR4CYP4Z1
SCHEMBL3091164 0.89 FFAR1 (0.68) CYP4F2CYP4A11FFAR1FFAR4NR1H4
SCHEMBL4889211 0.88 CYP4F2 (0.80) CYP4F2CYP4A11CYP4Z1LMNAL3MBTL1
SCHEMBL2773462 0.87 FFAR1 (0.68) CYP4F2CYP4A11FFAR1FFAR4NR1H4
SCHEMBL23074519 0.86 CYP4F2 (0.56) CYP4F2CYP4A11FFAR1FFAR4CYP4Z1
SCHEMBL21172120 0.85 CYP4F2 (0.55) CYP4F2CYP4A11FFAR1FFAR4CYP4Z1
SCHEMBL19266624 0.84 CYP4F2 (0.54) CYP4F2CYP4A11FFAR1FFAR4CYP4Z1
SCHEMBL12401878 0.83 CYP4F2 (0.68) CYP4F2CYP4A11CYP4Z1LMNAL3MBTL1
SCHEMBL23074514 0.83 CYP4F2 (0.52) CYP4F2CYP4A11FFAR1FFAR4CYP4Z1

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
EP-2987791-B1 3-(4-(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE, SUITABLE FOR PREVENTING AND TREATING METABOLIC DISEASES HYUNDAI PHARM CO LTD (KR) 2019-07-17 EP disclosed