SCHEMBL4145897

SCHEMBL4145897

COc1cc(OC)c(C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c2c(OC)cc(OC)cc2OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL5996300 0.94 MAPT (0.41) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5993505 0.92 CYP3A4 (0.34) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5993748 0.91 TP53 (0.46) SMN1; SMN2ABCG2TP53LMNA
SCHEMBL5994532 0.91 CYP3A4 (0.33) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5997127 0.91 ABCG2 (0.36) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5994546 0.90 GAA (0.35) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5994912 0.90 TAS1R3 (0.38) ABCG2LMNA
SCHEMBL5997728 0.89 KCNK3 (0.39) SMN1; SMN2ABCG2LMNA
SCHEMBL5994322 0.88 TAS1R3 (0.37) SMN1; SMN2LMNA
SCHEMBL15237 0.85 CA12 (0.41) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2088175-B1 Ink composition, inkjet recording method, and printed article FUJIFILM CORP (JP) 2014-10-15 EP disclosed
US-8299142-B2 Ink composition, inkjet recording method, and printed article FUJIFILM CORPORATION (JP) 2012-10-30 US disclosed
EP-2088175-A1 Ink composition, inkjet recording method, and printed article FUJIFILM Corporation (JP) 2009-08-12 EP disclosed
US-20090197055-A1 Ink composition, inkjet recording method, and printed article FUJIFILM CORPORATION (JP) 2009-08-06 US disclosed