SCHEMBL26698295

SCHEMBL26698295

CC(C)(C)OC(=O)OC(=O)C(C)(N)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.36
DGAT1 O75907 1/20 0.32
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL26698284 0.98 EPHX1 (0.38) EPHX1GAAHPGDDGAT1
SCHEMBL27950403 0.86 GAA (0.41) EPHX1GAAHPGDDGAT1HDAC4
SCHEMBL6597535 0.84 DGAT1 (0.42) EPHX1GAAHPGDDGAT1HDAC4
SCHEMBL27492386 0.81 EPHX1 (0.38) EPHX1GAAHPGDDGAT1
SCHEMBL7352590 0.78 EPHX1 (0.43) EPHX1GAA
SCHEMBL7352585 0.78 EPHX1 (0.43) EPHX1GAA
SCHEMBL28770712 0.78 EPHX1 (0.43) EPHX1GAA
Hydrochloric Acid SCHEMBL5194471 0.77 EPHX1 (0.42) EPHX1GAA
Hydrochloric Acid SCHEMBL27712371 0.77 EPHX1 (0.42) EPHX1GAA
Hydrochloric Acid SCHEMBL5421235 0.77 EPHX1 (0.42) EPHX1GAA

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-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed