SCHEMBL13645465

SCHEMBL13645465

CCC(C)C(=O)OC1CC2CC1C1C(=O)CCC21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.34
HMGCR P04035 6/20 0.34
LMNA P02545 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
TSHR P16473 4/20 0.34
HIF1A Q16665 4/20 0.34
ABCB11 O95342 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MTOR P42345 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL824274 0.79 HMGCR (0.34) CYP3A4HMGCRLMNASMN1; SMN2TSHR
SCHEMBL24832364 0.77 LMNA (0.49) CYP3A4HMGCRLMNASMN1; SMN2TSHR
SCHEMBL12919749 0.77 LMNA (0.45) CYP3A4HMGCRLMNASMN1; SMN2TSHR
SCHEMBL24832739 0.77 LMNA (0.49) CYP3A4HMGCRLMNASMN1; SMN2TSHR
SCHEMBL786019 0.77 LMNA (0.49) CYP3A4HMGCRLMNASMN1; SMN2TSHR
SCHEMBL13219729 0.74 HMGCR (0.38) CYP3A4HMGCRLMNASMN1; SMN2TSHR
SCHEMBL12430221 0.74 HMGCR (0.34) CYP3A4HMGCRLMNASMN1; SMN2TSHR
SCHEMBL824338 0.73 HMGCR (0.34) CYP3A4HMGCRLMNASMN1; SMN2TSHR
SCHEMBL12376867 0.73 CYP3A4 (0.34) CYP3A4HMGCRLMNASMN1; SMN2TSHR
SCHEMBL10178619 0.73 HMGCR (0.33) HMGCR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090269694-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2009-10-29 US disclosed
US-7598015-B2 Polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-06 US disclosed