SCHEMBL21842405

SCHEMBL21842405

Cc1cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2oc3ccccc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.40
▸ AHR P35869 1/20 0.40
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ CYP1B1 Q16678 3/20 0.37
▸ CYP1A1 P04798 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL19011016 0.88 NUDT1 (0.48) ALOX5AHRMAPTKDM4EALDH1A1
SCHEMBL21842208 0.86 MAOB (0.42) ALOX5AHRMAPTKDM4EALDH1A1
SCHEMBL10443534 0.86 ALOX5 (0.43) ALOX5AHRMAPTKDM4EALDH1A1
SCHEMBL12996520 0.85 KDM4E (0.43) MAPTKDM4EALDH1A1HSD17B10TP53
SCHEMBL24715245 0.85 ALOX5 (0.42) ALOX5AHRMAPTKDM4EALDH1A1
SCHEMBL13488344 0.83 ALOX5 (0.46) ALOX5MAPTKDM4EALDH1A1HSD17B10
SCHEMBL12799818 0.83 ALOX5 (0.50) ALOX5AHRMAPTKDM4EALDH1A1
SCHEMBL21842449 0.83 MAOB (0.43) ALOX5AHRMAPTKDM4EALDH1A1
SCHEMBL21842207 0.83 ALOX5 (0.43) ALOX5AHRMAPTKDM4EALDH1A1
SCHEMBL20334513 0.82 ALOX5 (0.45) ALOX5AHRMAPTKDM4EALDH1A1

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
WO-2020055177-A1 NOVEL COMPOUND, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-03-19 — — WO disclosed
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