SCHEMBL25528042

SCHEMBL25528042

BCc1c(B)c(CB)c(C(=O)OCCS(=O)(=O)O)c(C(=O)OCC)c1B

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ PDE4D Q08499 1/20 0.31
▸ FHIT P49789 1/20 0.31
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL25913789 0.92 SMN1; SMN2 (0.33) SMN1; SMN2HPGDALDH1A1GAAMAPT
SCHEMBL25528040 0.90 — —
SCHEMBL25476268 0.88 ALDH1A1 (0.37) SMN1; SMN2HPGDALDH1A1GAAMAPT
SCHEMBL25527951 0.87 — —
SCHEMBL25528037 0.86 — —
SCHEMBL25913787 0.82 — —
SCHEMBL25528050 0.81 STS (0.30) —
SCHEMBL25528038 0.81 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL25528056 0.80 — —
SCHEMBL25913793 0.78 — —

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-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 — — US disclosed
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