SCHEMBL25257077

SCHEMBL25257077

COc1ccc(/C=C(\CCc2ccccc2)C(=O)O)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ TTR P02766 2/20 0.58
▸ MAOA P21397 1/20 0.57
▸ MAOB P27338 1/20 0.57
▸ ALOX5 P09917 5/20 0.53
▸ TUBB1 Q9H4B7 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ AKR1C3 P42330 1/20 0.49
▸ EP300 Q09472 1/20 0.48
▸ AOX1 Q06278 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47

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 0.93 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25257221 0.85 ALOX5 (0.65) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15263105 0.84 ALOX15 (0.52) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16429426 0.84 ALOX15 (0.52) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1893128 0.84 ALOX15 (0.52) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25302980 0.83 ALOX5 (0.65) MAPTTTRALOX5ALDH1A1KDM4E
SCHEMBL25297025 0.82 MEN1 (0.53) ALOX5TUBB1ALDH1A1KDM4EGAA
SCHEMBL10611064 0.80 HTR1A (0.49) CYP1A2CYP3A4CYP2C9CYP2C19TUBB1
SCHEMBL25263708 0.80 IGF1R (0.55) MAPTGAAHPGDHTTMEN1
SCHEMBL25254374 0.79 ALOX5 (0.62) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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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