SCHEMBL25527291

SCHEMBL25527291

O=C(CCS)OC12CC3CC(C1)CC(C(=O)O)(C3)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP19A1 P11511 2/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 2/20 0.32
CYP17A1 P05093 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 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
SCHEMBL25527392 0.88 PKM (0.44) ALDH1A1PKML3MBTL1EPHX2NPSR1
SCHEMBL22279604 0.82 PKM (0.44) ALDH1A1PKML3MBTL1EPHX2NPSR1
SCHEMBL25946764 0.82 PKM (0.44) ALDH1A1PKML3MBTL1EPHX2NPSR1
SCHEMBL25527401 0.82 L3MBTL1 (0.40) ALDH1A1PKML3MBTL1NPSR1CYP19A1
SCHEMBL5607877 0.76 ALDH1A1 (0.49) ALDH1A1PKML3MBTL1NPSR1KMT2A
SCHEMBL5608294 0.74 ALDH1A1 (0.50) ALDH1A1PKML3MBTL1KMT2AGAA
SCHEMBL25527396 0.73 PKM (0.40) ALDH1A1PKML3MBTL1EPHX2NPSR1
SCHEMBL5607434 0.73 ALDH1A1 (0.46) ALDH1A1PKML3MBTL1NPSR1KMT2A
SCHEMBL13943335 0.73 ALDH1A1 (0.42) ALDH1A1PKML3MBTL1NPSR1CYP19A1
SCHEMBL3953932 0.73 PKM (0.41) ALDH1A1PKML3MBTL1NPSR1KMT2A

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