SCHEMBL17656229

SCHEMBL17656229

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1ccc2c(c1)oc1cc(C(=O)CO)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.45
NPC1 O15118 1/20 0.44
KLK7 P49862 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
UCHL1 P09936 3/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38

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
SCHEMBL18462512 0.96 MEN1 (0.51) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL2706749 0.96 MEN1 (0.51) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL204799 0.92 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL14982455 0.92 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL9977356 0.92 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL2707843 0.92 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL2757464 0.91 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL205797 0.91 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL2707839 0.91 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL9977354 0.89 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HSD17B10KDM4E

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
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed