SCHEMBL16370896

SCHEMBL16370896

CCOC(=O)C1(C)CC2(CCC1O)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.41
POLB P06746 2/20 0.36
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.32
GLI1 P08151 1/20 0.31
F9 P00740 1/20 0.31
F12 P00748 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
F11 P03951 1/20 0.31

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
SCHEMBL16407827 1.00 F10 (0.41) F10POLBCYP2C19ALDH1A1CYP3A4
SCHEMBL16370301 0.82 F10 (0.34) F10CYP2C19ALDH1A1CYP2C9MAPK1
SCHEMBL16391350 0.79 F10 (0.44) F10POLBPTPN2PTPN1CDC25B
SCHEMBL16409181 0.78 LMNA (0.33) F10POLBCYP2C19ALDH1A1CYP3A4
SCHEMBL22484370 0.74 CYP2C19 (0.35) F10POLBCYP2C19ALDH1A1CYP3A4
SCHEMBL16407828 0.74 CYP2C9 (0.50) F10POLBCYP2C19ALDH1A1CYP3A4
SCHEMBL27634524 0.73 F10 (0.50) F10POLBPTPN2PTPN1CDC25B
SCHEMBL16391387 0.73 F10 (0.50) F10POLBPTPN2PTPN1CDC25B
SCHEMBL20221633 0.73 F10 (0.50) F10POLBPTPN2PTPN1CDC25B
SCHEMBL16214712 0.72 F10 (0.49) F10ALDH1A1CYP3A4CYP2C9PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
EP-3019196-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-18 EP disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed