SCHEMBL28400142

SCHEMBL28400142

CCC(C)OC(=O)C1(C(=O)OC(C)CC)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
EPHX2 P34913 1/20 0.31
MAPT P10636 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
SCHEMBL18388319 0.83 APOBEC3A (0.37) APOBEC3AAPOBEC3GEPHX2
SCHEMBL9403089 0.81 APOBEC3A (0.36) APOBEC3AAPOBEC3GEPHX2MAPT
SCHEMBL18388287 0.81 APOBEC3A (0.38) APOBEC3AAPOBEC3GEPHX2MAPT
SCHEMBL3761888 0.80 FAAH (0.48) MAPT
SCHEMBL16086439 0.79 TSHR (0.39) APOBEC3AAPOBEC3G
SCHEMBL16086411 0.77 TSHR (0.40) APOBEC3AAPOBEC3G
SCHEMBL15463099 0.74 CA12 (0.34) APOBEC3AAPOBEC3GEPHX2MAPT
SCHEMBL15461459 0.74 APOBEC3A (0.33) APOBEC3AAPOBEC3GEPHX2
SCHEMBL3759179 0.74 FAAH (0.42) APOBEC3AAPOBEC3GMAPT
SCHEMBL3769603 0.74 PRKCA (0.41) EPHX2

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
CN-111032603-B Iron-catalyzed transesterification hydrogenation of esters to alcohols 伊士曼化工公司 2023-07-25 CN disclosed
CN-111032603-A Iron-catalyzed transfer hydrogenation of esters to alcohols 伊士曼化工公司 2020-04-17 CN disclosed