SCHEMBL20179220

SCHEMBL20179220

C=CCCC(Cc1ccc(C(=O)OCOC(=O)OC(C)C)cc1)C(=O)OCCS(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
HTR7 P34969 1/20 0.31
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PTGS2 P35354 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
SCHEMBL20179188 0.87 CYP4F2 (0.33) CYP4F2CYP4A11HTR7PKMMAPK1
SCHEMBL20168315 0.87 CYP4F2 (0.33) CYP4F2CYP4A11HTR7PKMMAPK1
SCHEMBL20179212 0.87 CPA3 (0.35) CYP4F2CYP4A11HTR7PKMMAPK1
SCHEMBL20168733 0.85 FOLH1 (0.38) CYP4F2CYP4A11HTR7
SCHEMBL21578155 0.85 FOLH1 (0.38) CYP4F2CYP4A11HTR7
SCHEMBL21577940 0.82 CYP4F2 (0.39) CYP4F2CYP4A11HTR7PKMMAPK1
SCHEMBL23633890 0.76 FOLH1 (0.35)
SCHEMBL20168576 0.75 CYP4F2 (0.47) CYP4F2CYP4A11
SCHEMBL20179182 0.75 CYP4F2 (0.47) CYP4F2CYP4A11
SCHEMBL21577998 0.74

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-2018094334-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2018-05-24 WO disclosed