SCHEMBL25877279

SCHEMBL25877279

Cc1cc([SH](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC1C(C)OC2C(C)C(=O)OC12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL25629389 0.81 KMT2A (0.30) KMT2AMMP1MMP9MMP8
SCHEMBL25629393 0.77 KMT2A (0.30) KMT2AMMP1MMP9MMP8
SCHEMBL25897253 0.73 KMT2A (0.31) KMT2A
SCHEMBL25657994 0.73 MAPK1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL25629409 0.72 MMP1 (0.31) MMP1MMP9MMP8
SCHEMBL25657999 0.71 MMP1 (0.49) ALDH1A1KMT2AMMP1MMP9MMP8
SCHEMBL25629410 0.71 KMT2A (0.47) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL25629386 0.71 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1
SCHEMBL25837668 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL25629330 0.68 KMT2A (0.41) ALDH1A1KMT2AMMP1MMP9MMP8

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-2023127690-A1 RESIST COMPOSITION AND RESIST PATTERN FORMING METHOD 東京応化工業株式会社 2023-07-06 WO disclosed