SCHEMBL26939802

SCHEMBL26939802

CC(C)(OC(=O)C1(C(=O)O)CCCC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP17A1 P05093 2/20 0.33
CYP19A1 P11511 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.32
EPHX2 P34913 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 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
SCHEMBL14557006 0.77 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP17A1CYP19A1MEN1
SCHEMBL4829842 0.75 NPSR1 (0.31)
SCHEMBL3290691 0.73 MEN1 (0.39) ALDH1A1CYP17A1CYP19A1MEN1MAPK1
SCHEMBL23293553 0.73 CYP2C19 (0.32)
SCHEMBL441785 0.73 MEN1 (0.39) CYP17A1CYP19A1MEN1MAPK1KMT2A
SCHEMBL26939794 0.72
SCHEMBL26939961 0.72 HSD11B1 (0.32)
SCHEMBL13638396 0.72 MEN1 (0.38) ALDH1A1CYP17A1CYP19A1MEN1MAPK1
SCHEMBL112620 0.72 MEN1 (0.38) ALDH1A1CYP17A1CYP19A1MEN1MAPK1
SCHEMBL7884001 0.72 CYP2C19 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed