SCHEMBL19996963

SCHEMBL19996963

CC(C)(C)C(=O)OCC1CCOC(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ENO1 P06733 1/20 0.33
PRKCA P17252 9/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TK1 P04183 1/20 0.31
ELANE P08246 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 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
SCHEMBL15113809 0.87 HMGCR (0.36)
SCHEMBL18897895 0.85
SCHEMBL6683672 0.84 SMN1; SMN2 (0.38) SMN1; SMN2ENO1PRKCAPOLBGAA
SCHEMBL29001312 0.83 NLRP3 (0.39) POLBKDM4EALDH1A1
SCHEMBL9694969 0.78 CYP1A2 (0.41) SMN1; SMN2ENO1PRKCAPOLBGAA
SCHEMBL10064380 0.78 ALDH1A1 (0.55) KDM4EALDH1A1
SCHEMBL686004 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ENO1KDM4EALDH1A1
SCHEMBL20691756 0.75
SCHEMBL17022723 0.75 MAOA (0.38)
SCHEMBL28394340 0.75 MAOA (0.38)

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-9927708-B2 Pattern forming process and shrink agent SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-27 US disclosed