SCHEMBL7715352

SCHEMBL7715352

CCSC(=O)OCOC(=O)C(C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ACHE P22303 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
SCHEMBL18356858 0.85 ACHE (0.37) CYP4F2CYP4A11ALDH1A1ACHE
SCHEMBL7869641 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1507155 0.85 PRKCA (0.35) CYP4F2CYP4A11ALDH1A1
SCHEMBL5021627 0.84 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1
SCHEMBL7878838 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL30661942 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11964190 0.76 NAAA (0.38) CYP4F2CYP4A11ALDH1A1
SCHEMBL2625589 0.76 ALDH1A1 (0.42) CYP4F2CYP4A11ALDH1A1
SCHEMBL391974 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL390815 0.75 CYP4F2 (0.35) CYP4F2CYP4A11

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-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed