SCHEMBL1668871

SCHEMBL1668871

CCOc1nc(C(=O)OC)c(OCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
RNASEH1 O60930 1/20 0.47
HCAR2 Q8TDS4 1/20 0.44
KDM4C Q9H3R0 1/20 0.42
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
LIPG Q9Y5X9 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL6366081 0.82 ERCC1 (0.64) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL15320780 0.81 ALDH1A1 (0.48) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL15427754 0.80 ALDH1A1 (0.46) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL3423030 0.79 ALDH1A1 (0.46) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL5645117 0.77 ALDH1A1 (0.45) USP2ALDH1A1TSHRHSD17B10HPGD
SCHEMBL62834 0.76 LMNA (0.52) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL6621602 0.72 NPSR1 (0.40) TSHRHSD17B10RNASEH1KDM4CERCC1
SCHEMBL52686 0.71 LMNA (0.57) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL4703291 0.71 HPGD (0.58) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL30745057 0.71 LMNA (0.54) USP2ALDH1A1TSHRHSD17B10LMNA

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-2488517-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2012-08-22 EP disclosed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 WO disclosed