SCHEMBL20057022

SCHEMBL20057022

CCC(C)(C)OC(=O)COCCOCCOCC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
VCAM1 P19320 1/20 0.31
PTGS1 P23219 1/20 0.30
PAM P19021 2/20 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
SCHEMBL21106744 0.87 APLNR (0.30)
SCHEMBL12967160 0.86 ALDH1A1 (0.32)
SCHEMBL23664656 0.86 MEN1 (0.39)
SCHEMBL4304879 0.83 VCAM1 (0.33) EPHX2VCAM1
SCHEMBL20534803 0.83 VCAM1 (0.33) EPHX2VCAM1
SCHEMBL7263697 0.83 VCAM1 (0.33) EPHX2VCAM1
SCHEMBL1205241 0.83 VCAM1 (0.33) EPHX2VCAM1
SCHEMBL30850421 0.81 VCAM1 (0.33) EPHX2VCAM1PTGS1
SCHEMBL12501262 0.79 ALDH1A1 (0.33)
SCHEMBL29334924 0.77 CYP4F2 (0.47)

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
EP-3308801-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCExplorer (Shanghai) Co., Ltd. (CN) 2018-04-18 EP disclosed