SCHEMBL29067123

SCHEMBL29067123

COc1ccc(Cc2cccc(N)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.63
▸ ALDH1A1 P00352 5/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CYP2D6 P10635 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SLC6A4 P31645 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAOB P27338 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SLC5A1 P13866 1/20 0.45
▸ SLC5A2 P31639 1/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ AGXT P21549 1/20 0.44

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
SCHEMBL21507574 0.88 CYP3A4 (0.55) LTA4HALDH1A1CYP3A4CYP19A1MAOB
SCHEMBL10970519 0.87 LTA4H (0.76) LTA4HALDH1A1CA1CA2CA9
SCHEMBL7004918 0.86 CYP19A1 (0.67) LTA4HALDH1A1CYP3A4CYP19A1MAOB
SCHEMBL22746281 0.86 ALDH1A1 (0.66) LTA4HALDH1A1CYP3A4MAOBIDO1
SCHEMBL3482569 0.84 CA1 (0.62) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL30324526 0.84 CA1 (0.62) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL9719373 0.84 CA1 (0.62) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL29569802 0.84 CA1 (0.62) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL14191204 0.83 LTA4H (0.70) LTA4HALDH1A1MAOBLMNAIDO1
SCHEMBL9799747 0.83 CYP19A1 (0.58) ALDH1A1CYP3A4CYP19A1TDP1MAOB

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
CN-116711767-A Quick-freezing fresh-keeping method for large yellow croaker 福建岳海水产食品有限公司 2023-09-08 — — CN disclosed
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