SCHEMBL31243554

SCHEMBL31243554

CCCCOC(=O)COc1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.64
NR5A1 Q13285 1/20 0.64
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
LMNA P02545 1/20 0.58
ESR1 P03372 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
NR1H2 P55055 1/20 0.58
RNASEL Q05823 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PLA2G4B P0C869 5/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PLA2G4A P47712 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL11655422 0.87 LTA4H (0.61) LTA4HTSHRPLA2G4BPLA2G4A
SCHEMBL27498550 0.87 LTA4H (0.64) LTA4HNR5A1CYP1A2CYP2C19LMNA
SCHEMBL28874771 0.85 LTA4H (0.59) LTA4HTSHRPLA2G4BPLA2G4A
SCHEMBL27483976 0.85 CYP1A2 (0.59) CYP1A2CYP2C19LMNACYP2D6TSHR
SCHEMBL21384542 0.85 CYP1A2 (0.68) CYP1A2CYP2C19LMNATSHRMAPK1
SCHEMBL434786 0.84 GAA (0.68) LTA4HESR1SMN1; SMN2ALDH1A1GAA
SCHEMBL57167 0.84 LTA4H (0.88) LTA4HNR5A1CYP1A2CYP2C19LMNA
SCHEMBL21992784 0.83 LTA4H (0.59) LTA4HNR5A1CYP1A2CYP2C19LMNA
SCHEMBL12589607 0.83 MAPT (0.60) SMN1; SMN2PLA2G4BALDH1A1L3MBTL1
SCHEMBL9130750 0.83 PLA2G4B (0.57) CYP1A2CYP2C19TSHRPLA2G4BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059876-A Continuous hydrolysis reaction method and system for hydroxyl-containing ester 宁夏汉润生物科技有限公司 2024-12-03 CN claimed
CN-119059876-A Continuous hydrolysis reaction method and system for hydroxyl-containing ester 宁夏汉润生物科技有限公司 2024-12-03 CN disclosed