SCHEMBL16638216

SCHEMBL16638216

CC(C)CC(C)(C)C(=O)OCCS

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL26338964 0.81 CHRM1 (0.46) MMP8
SCHEMBL16313603 0.81 MMP8 (0.39) MMP8CYP4F2CYP4A11
SCHEMBL20192416 0.79 MMP8 (0.38) MMP8CYP4F2CYP4A11
SCHEMBL12138103 0.79 ALDH1A1 (0.45) MMP8CYP4F2CYP4A11
SCHEMBL23467472 0.78 MMP8 (0.37) MMP8
SCHEMBL14932192 0.78 MMP8 (0.37) MMP8
SCHEMBL21262827 0.78 NAAA (0.44) MMP8
SCHEMBL7857447 0.78 MMP8 (0.59) MMP8CYP4F2CYP4A11
SCHEMBL11913577 0.78 CYP4F2 (0.36) CYP4F2CYP4A11
SCHEMBL28261535 0.78 TSHR (0.42) MMP8CYP4F2CYP4A11

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
US-9006345-B2 Heterotrifunctional molecules and methods for the synthesis of dendrimeric materials THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-14 US disclosed