SCHEMBL26939166

SCHEMBL26939166

CC(C)(OC(=O)CC(=O)O)C1CC2CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
SLC6A3 Q01959 2/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SIRT5 Q9NXA8 1/20 0.32
MAPT P10636 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
SCHEMBL26939177 0.92 EPHX2 (0.34) EPHX2SLC6A3L3MBTL1
SCHEMBL120796 0.84 EPHX2 (0.40) EPHX2SLC6A3POLBHPGDL3MBTL1
SCHEMBL23365338 0.82 EPHX2 (0.40) EPHX2SLC6A3POLBHPGDL3MBTL1
SCHEMBL16281976 0.82 EPHX2 (0.39) EPHX2SLC6A3POLBHPGDL3MBTL1
SCHEMBL13527836 0.81 EPHX2 (0.35) EPHX2SLC6A3POLBCYP19A1ALDH1A1
SCHEMBL3674828 0.79 SLC6A3 (0.34) EPHX2SLC6A3POLBL3MBTL1CYP19A1
SCHEMBL13588105 0.78 EPHX2 (0.34) EPHX2CYP19A1ALDH1A1
SCHEMBL16684205 0.78 SLC6A3 (0.33) EPHX2SLC6A3POLBL3MBTL1CYP19A1
SCHEMBL4900373 0.78 SLC6A3 (0.33) EPHX2SLC6A3POLBL3MBTL1
SCHEMBL12812192 0.77 ALDH1A1 (0.34) EPHX2SLC6A3HPGDSMN1; SMN2CYP19A1

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