SCHEMBL29815420

SCHEMBL29815420

COc1cc(/C=C/C2Sc3ccccc3N2C)cc(OC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.43
▸ PTGS1 P23219 5/20 0.43
▸ PTGS2 P35354 5/20 0.43
▸ GAA P10253 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TUBB1 Q9H4B7 2/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL30697175 0.92 MAPT (0.42) ALOX5PTGS1PTGS2GAAMEN1
SCHEMBL29815053 0.88 NFE2L2 (0.48) ALOX5PTGS1PTGS2GAAMEN1
SCHEMBL29815123 0.82 TRPA1 (0.41) ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL31231844 0.82 APP (0.52) PTGS2MEN1MAPTKMT2AALDH1A1
SCHEMBL29815013 0.80 APP (0.35) MAPTKMT2ARAB9ACYP3A4PKM
SCHEMBL28820660 0.80 BCHE (0.39) MAPTKDM4EPOLBHTT
SCHEMBL28820816 0.80 BCHE (0.39) MAPTKDM4EPOLBHTT
SCHEMBL29815326 0.79 LCK (0.41) ALOX5PTGS1PTGS2GAAMEN1
SCHEMBL29815022 0.75 CYP19A1 (0.41) MEN1MAPTKMT2ARAB9A
SCHEMBL29815035 0.75 NFE2L2 (0.41) ALOX5PTGS1PTGS2MEN1MAPT

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-110308124-B Application of fluorescence probe containing benzothiazole compound in detecting bacterial messenger molecule c-di-GMP 暨南大学 2022-06-03 — — CN disclosed
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