SCHEMBL26657679

SCHEMBL26657679

CCOC(=O)CCc1ccccc1B(O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.67
▸ CYP4A11 Q02928 3/20 0.67
▸ LIPG Q9Y5X9 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CDYL Q9Y232 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALOX5 P09917 1/20 0.42

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
SCHEMBL69660 0.86 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL29958321 0.83 PKM (0.51) CYP4F2CYP4A11LIPGALDH1A1SMN1; SMN2
SCHEMBL3703908 0.83 PKM (0.51) CYP4F2CYP4A11LIPGALDH1A1SMN1; SMN2
SCHEMBL3665652 0.83 LIPG (0.50) CYP4F2CYP4A11LIPGALDH1A1SMN1; SMN2
SCHEMBL28008696 0.83 CYP4F2 (0.81) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL28008697 0.82 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL13948404 0.81 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL30670216 0.80 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL22098182 0.80 CYP4F2 (1.00) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL22070564 0.80 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2

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-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 — — EP disclosed
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