SCHEMBL29028145

SCHEMBL29028145

C=CC(=O)OCC(O)COc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ABCB1 P08183 2/20 0.33

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
SCHEMBL28818983 0.86 MMP12 (0.37) THRBMAPTNPC1RAB9A
SCHEMBL30292645 0.85 THRB (0.56) THRBALDH1A1NPC1RAB9A
SCHEMBL587231 0.85 THRB (0.56) THRBALDH1A1NPC1RAB9A
SCHEMBL29028189 0.81 NPC1 (0.42) THRBALDH1A1PKMMAPTNPC1
SCHEMBL28811348 0.80 ALDH1A1 (0.41) ALDH1A1POLBPKMSMN1; SMN2LMNA
SCHEMBL818977 0.79 THRB (0.52) THRBCYP1A2ALDH1A1POLBPKM
SCHEMBL818941 0.79 CYP1A2 (0.50) THRBCYP1A2ALDH1A1POLBPKM
SCHEMBL30421210 0.78 THRB (0.51) THRBMAPTNPC1RAB9A
SCHEMBL2806274 0.77 LMNA (0.50) ALDH1A1POLBPKMSMN1; SMN2LMNA
SCHEMBL13816877 0.77 CYP1A2 (0.44) THRBCYP1A2ALDH1A1POLBPKM

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-110392864-B Negative photosensitive resin composition, cured film, element and organic EL display having cured film, and method for producing same 东丽株式会社 2023-05-23 CN disclosed