SCHEMBL14769030

SCHEMBL14769030

CCC(C)(C)C(=O)OC1COC2C(OCOCCC(C)C)COC12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.36
KLK7 P49862 5/20 0.33
KLK5 Q9Y337 3/20 0.33
HMGCR P04035 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL15978093 0.83 BCHE (0.39) BCHEKLK7KLK5
SCHEMBL13829296 0.83 BCHE (0.39) BCHEKLK7KLK5
SCHEMBL14616373 0.82 BCHE (0.38) BCHEKLK7KLK5
SCHEMBL14617360 0.81 BCHE (0.41) BCHEKLK7KLK5
SCHEMBL14617325 0.79 ALDH1A1 (0.35) BCHEKLK7KLK5
SCHEMBL14617346 0.79 ALDH1A1 (0.35) BCHEKLK7KLK5
SCHEMBL14616402 0.78 BCHE (0.36) BCHEKLK7
SCHEMBL17525822 0.77 BCHE (0.42) BCHEKLK7KLK5
SCHEMBL14616287 0.77 BCHE (0.34) BCHEKLK7KLK5
SCHEMBL14616311 0.76 BCHE (0.34) BCHEKLK7

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