SCHEMBL13865429

SCHEMBL13865429

CCC(C)(C)CCC1CCC2OC2C1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 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
SCHEMBL18721788 0.89 PTGS1 (0.30) PTGS1PTGS2
SCHEMBL13640011 0.83 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL18815426 0.81 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL5822786 0.79 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL28362780 0.78 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL845022 0.77 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL14098445 0.77 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL22175255 0.77 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL20901395 0.77 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL10049396 0.77 PTGS1 (0.34) PTGS1PTGS2

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-2009067100-A1 ORGANOSILICONE COMPOSITIONS AND METHODS FOR PREPARING THEM MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2009-05-28 WO disclosed