SCHEMBL26229697

SCHEMBL26229697

Cc1cc([SH](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC1CC2CC3(C1)CC3C2=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL25962545 0.78 ALDH1A1 (0.33) KMT2AALDH1A1NPSR1MMP1MMP9
SCHEMBL25897241 0.77 ALDH1A1 (0.32) KMT2AALDH1A1MMP1MMP9MMP8
SCHEMBL25629366 0.76 NPSR1 (0.43) KMT2AALDH1A1NPSR1MMP1MMP9
SCHEMBL25852024 0.72 CYP19A1 (0.40) KMT2AALDH1A1NPSR1MEN1
SCHEMBL25657999 0.71 MMP1 (0.49) KMT2AALDH1A1MMP1MMP9MMP8
SCHEMBL25629410 0.70 KMT2A (0.47) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL25657994 0.70 MAPK1 (0.45) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL25468324 0.69 CYP17A1 (0.43) KMT2AALDH1A1NPSR1MMP1MMP9
SCHEMBL26460054 0.68 KMT2A (0.34) KMT2AALDH1A1NPSR1MMP1MMP9
SCHEMBL25629365 0.68 THRB (0.39) KMT2AALDH1A1NPSR1MMP1MMP9

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-2023171670-A1 RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, COMPOUND, AND POLYMER COMPOUND 東京応化工業株式会社 2023-09-14 WO disclosed