SCHEMBL4145899

SCHEMBL4145899

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL28239957 0.86 CA12 (0.40) SMN1; SMN2LMNA
SCHEMBL15362 0.86 CA12 (0.40) SMN1; SMN2LMNA
SCHEMBL338325 0.84 TP53 (0.45) SMN1; SMN2LMNAABCG2KMT2A
SCHEMBL7179709 0.83 TDP1 (0.37) CYP3A4KMT2A
Benzoic Acid SCHEMBL28208456 0.79 MRGPRX4 (0.40) LMNAKMT2A
Phosphine SCHEMBL28242964 0.77 HPGD (0.37) SMN1; SMN2LMNAKMT2A
Phosphine SCHEMBL28294838 0.74 TP53 (0.36) SMN1; SMN2LMNAKMT2A
SCHEMBL6399267 0.72 CYP3A4 (0.37) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL7187536 0.71 CA12 (0.38) SMN1; SMN2LMNAHTR1AKMT2A
SCHEMBL131005 0.70 CA12 (0.41) SMN1; SMN2LMNAKMT2A

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