SCHEMBL14769070

SCHEMBL14769070

CCC(C)(C)C(=O)OC(CCC(F)(F)C(F)(F)F)CC1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.33
CTSK P43235 6/20 0.33
CTSS P25774 1/20 0.33
CTSL P07711 3/20 0.32
CTSB P07858 3/20 0.32
CTSH P09668 2/20 0.32
FKBP1A P62942 2/20 0.31

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
SCHEMBL18199022 0.85 HMGCR (0.32) HMGCRCTSKCTSSCTSLCTSB
SCHEMBL18198992 0.84 CTSK (0.33) HMGCRCTSKCTSSCTSLCTSB
SCHEMBL18199010 0.80 CTSK (0.31) CTSK
SCHEMBL16746672 0.80 CTSK (0.44) HMGCRCTSKCTSSCTSLCTSB
SCHEMBL14769063 0.78 CTSK (0.30) CTSK
SCHEMBL15116337 0.76 CTSK (0.35) HMGCRCTSKCTSSCTSLCTSB
SCHEMBL15116342 0.75 CTSK (0.37) HMGCRCTSKCTSSCTSLCTSB
SCHEMBL15113930 0.75 CTSK (0.34) HMGCRCTSKCTSSCTSLCTSB
SCHEMBL15113927 0.74 CTSK (0.36) HMGCRCTSKCTSSCTSLCTSB
SCHEMBL16746653 0.73 CTSK (0.50) CTSKCTSSCTSLCTSBCTSH

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-20130065183-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-14 US disclosed