SCHEMBL25826919

SCHEMBL25826919

COc1cc(CC(C)C(=O)OCCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.53
KMT2A Q03164 2/20 0.49
TUBB1 Q9H4B7 1/20 0.48
G6PD P11413 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TTR P02766 2/20 0.46
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
SCHEMBL490146 0.88 ALOX5 (0.54) ALOX5KMT2AG6PDALDH1A1LMNA
SCHEMBL491167 0.83 ALOX5 (0.51) ALOX5KMT2AG6PDALDH1A1LMNA
SCHEMBL25826288 0.82 ABCB1 (0.50) ALOX5ALDH1A1HPGD
SCHEMBL491168 0.79 ALOX5 (0.81) ALOX5KMT2AALDH1A1
SCHEMBL490973 0.77 ALOX5 (0.47) ALOX5KMT2AG6PDALDH1A1LMNA
SCHEMBL16672966 0.76 HCAR2 (0.49) ALOX5ALDH1A1LMNAHPGDAKR1B10
SCHEMBL38661412 0.76 KMT2A (0.55) KMT2AHPGD
SCHEMBL490644 0.76 ALOX5 (0.46) ALOX5KMT2ATTRAKR1B10AKR1B1
SCHEMBL490982 0.75 ALOX5 (0.48) ALOX5KMT2AALDH1A1LMNAHPGD
SCHEMBL490927 0.75 LDHA (0.65) ALOX5KMT2ATTR

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-3423429-B1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY UNIV DE MONCTON (CA) 2023-07-12 EP disclosed