SCHEMBL25724119

SCHEMBL25724119

Cc1c(C)c(O)c2c(-c3ccc(-c4cccc5ccccc45)cc3)c3c(O)c(O)c(O)c(O)c3c(C)c2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.43
▸ ENPP1 P22413 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ PPARG P37231 9/20 0.41
▸ PPARA Q07869 9/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ ACMSD Q8TDX5 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL24696780 0.86 MCL1 (0.49) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL17452020 0.78 MCL1 (0.44) HDAC8HDAC6PPARGPPARACYP2C9
SCHEMBL24378387 0.78 ENPP3 (0.43) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL25012251 0.78 DHFR (0.40) HDAC8HDAC6CYP1A2DHFR
SCHEMBL24715349 0.78 ENPP3 (0.44) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL25731913 0.77 ENPP3 (0.42) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL26045999 0.76 MMP3 (0.43) HDAC8HDAC6MCL1CYP1A2
SCHEMBL25638871 0.75 ENPP3 (0.40) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL26566234 0.75 ENPP3 (0.40) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL12333231 0.74 HDAC8 (0.49) ENPP3ENPP1HDAC8HDAC6PPARG

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-2023096399-A1 HIGH EFFICIENCY AND LONG LIFETIME ORGANIC LIGHT-EMITTING DIODE 에스에프씨 주식회사 2023-06-01 — — WO disclosed
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