SCHEMBL25476254

SCHEMBL25476254

Cc1ccc(C(=O)OCCS(=O)(=O)O)c(OC(=O)C2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 5/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ PPIA P62937 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ PTK2B Q14289 1/20 0.32

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
SCHEMBL19756083 0.87 KDM4E (0.31) KDM4E
SCHEMBL25528027 0.86 KDM4E (0.30) KDM4E
SCHEMBL25476253 0.84 KMT2A (0.35) KMT2AMEN1MAPTNPSR1HSP90AA1
SCHEMBL25476245 0.81 KMT2A (0.46) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL25476243 0.81 ALDH1A1 (0.38) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL25476231 0.81 PTGS2 (0.40) KMT2AMEN1MAPTNPSR1HSP90AA1
SCHEMBL25476244 0.80 ALDH1A1 (0.39) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL25476241 0.78 NPSR1 (0.43) KMT2AMEN1MAPTNPSR1HSP90AA1
SCHEMBL25476239 0.78 ACHE (0.39) KMT2AMEN1MAPTNPSR1HSP90AA1
SCHEMBL25476229 0.78 GAA (0.47) KMT2AMEN1MAPTNPSR1HSP90AA1

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-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 — — US disclosed
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