SCHEMBL5350470

SCHEMBL5350470

COC(=O)C1C(C)(C)OC(=O)C1(C)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
ELANE P08246 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
MAPT P10636 1/20 0.30
ITGA4 P13612 1/20 0.30
BRD4 O60885 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5345282 0.82 LMNA (0.41) ALDH1A1KMT2APPM1BPTPN1PPP1CC
SCHEMBL15771246 0.68 HTT (0.37) HTTALDH1A1KMT2ACYP1A2HIF1A
SCHEMBL20253604 0.65 KMT2A (0.33) HTTALDH1A1KMT2ACYP1A2HIF1A
SCHEMBL25121397 0.64 ALDH1A1 (0.54) ALDH1A1KMT2ACYP1A2HIF1ABRD4
SCHEMBL10186480 0.64 KDM4E (0.31) HTTALDH1A1KMT2ACYP1A2
SCHEMBL5344906 0.64 ELANE (0.33) HTTALDH1A1KMT2ACYP1A2HIF1A
SCHEMBL5706652 0.64 HTT (0.41) HTTALDH1A1KMT2ACYP1A2HIF1A
SCHEMBL903246 0.63
SCHEMBL31455239 0.61 GAA (0.41) HTTALDH1A1KMT2ACYP1A2HIF1A
SCHEMBL10389033 0.60 OPRK1 (0.38) ALDH1A1KMT2ACYP1A2HIF1AMAPT

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-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 EP disclosed