SCHEMBL14887115

SCHEMBL14887115

CCC(C)(C)C(=O)OCC1CCCC(O)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.40
FKBP1A P62942 5/20 0.35
CNR2 P34972 4/20 0.35
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
RIPK1 Q13546 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
SCHEMBL16945855 0.85 CNR2 (0.33) CNR2
SCHEMBL16945819 0.84 HMGCR (0.32) HMGCR
SCHEMBL686074 0.83 LMNA (0.32) CNR2LMNAALDH1A1CYP3A4
SCHEMBL15867875 0.82 HMGCR (0.47) HMGCRFKBP1ALMNA
SCHEMBL528249 0.82 HMGCR (0.47) HMGCRFKBP1ALMNA
SCHEMBL12346460 0.82 LMNA (0.31) LMNAALDH1A1CYP3A4
SCHEMBL15866034 0.81 HMGCR (0.40) HMGCRFKBP1ACNR2LMNA
SCHEMBL13561251 0.80 HMGCR (0.44) HMGCRFKBP1ACNR2LMNA
SCHEMBL14826610 0.80 HMGCR (0.41) HMGCRFKBP1A
SCHEMBL13829224 0.79 HMGCR (0.41) HMGCRFKBP1ARIPK1

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-20130101936-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-25 US disclosed