SCHEMBL25302980

SCHEMBL25302980

COc1cc(/C=C(\CCCc2ccccc2)C(=O)O)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.65
▸ TRPV1 Q8NER1 2/20 0.57
▸ GAA P10253 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ TTR P02766 1/20 0.56
▸ SHBG P04278 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CAPN1 P07384 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ CA5A P35218 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ CA5B Q9Y2D0 1/20 0.52
▸ MAPT P10636 3/20 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
SCHEMBL25250978 0.91 MAPT (0.56) ALOX5TRPV1GAAALDH1A1KDM4E
SCHEMBL25296313 0.88 ALOX5 (0.59) ALOX5TRPV1ALDH1A1KDM4EMAPT
SCHEMBL2931779 0.85 HTR1A (0.57) ALOX5TRPV1GAAALDH1A1KDM4E
SCHEMBL19127373 0.85 MAPT (0.55) ALOX5GAAALDH1A1KDM4EHPGD
SCHEMBL10635812 0.85 HTR1A (0.57) ALOX5TRPV1GAAALDH1A1KDM4E
SCHEMBL25300688 0.85 ALOX15 (0.54) ALOX5TRPV1GAAALDH1A1KDM4E
SCHEMBL10610974 0.83 HTR1A (0.61) ALOX5TRPV1ALDH1A1HPGDMAPT
SCHEMBL19126962 0.83 MAPT (0.52) ALOX5GAAALDH1A1KDM4EHPGD
SCHEMBL10608581 0.83 HTR1A (0.61) ALOX5TRPV1ALDH1A1HPGDMAPT
SCHEMBL25257077 0.83 MAPT (0.61) ALOX5GAAALDH1A1KDM4EHPGD

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 claimed
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