SCHEMBL25738349

SCHEMBL25738349

CCCCCCSc1ccc(OCCOCCOC)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ PTGS2 P35354 5/20 0.41
▸ CNR2 P34972 4/20 0.40
▸ CNR1 P21554 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SLC2A1 P11166 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ SOAT1 P35610 1/20 0.34

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
SCHEMBL18872216 0.96 MEN1 (0.45) MEN1KMT2AHTTPTGS2CNR2
SCHEMBL17285481 0.95 MEN1 (0.43) MEN1KMT2AHTTPTGS2CNR2
SCHEMBL18256394 0.91 PTGS2 (0.43) MEN1KMT2AHTTPTGS2CNR2
SCHEMBL19043705 0.89 PTGS2 (0.43) MEN1KMT2AHTTPTGS2KDM4E
SCHEMBL14839250 0.88 MEN1 (0.52) MEN1KMT2AHTTPTGS2CNR2
SCHEMBL19043851 0.88 PTGS2 (0.41) MEN1KMT2AHTTPTGS2KDM4E
SCHEMBL10192728 0.87 MEN1 (0.47) MEN1KMT2AHTTPTGS2CNR2
SCHEMBL18872221 0.86 KDM4E (0.40) MEN1KMT2AHTTPTGS2CNR2
SCHEMBL25738341 0.85 PTGS2 (0.45) MEN1KMT2AHTTPTGS2CNR2
SCHEMBL19043853 0.84 PTGS2 (0.43) MEN1KMT2AHTTPTGS2CNR2

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
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 — — US disclosed
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