SCHEMBL16751995

SCHEMBL16751995

COCOc1cc(OCOC)c(C(=O)/C=C/c2ccccc2)c(OCOC)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
KMT2A Q03164 4/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
ATM Q13315 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.55
MAOB P27338 4/20 0.54
MAOA P21397 2/20 0.54
CYP19A1 P11511 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KCNA3 P22001 1/20 0.51
TNFRSF1A P19438 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HSPD1 P10809 1/20 0.48

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
SCHEMBL16751996 1.00 MAPT (0.56) MAPTKMT2ATP53CYP3A4ATM
SCHEMBL4447777 0.93 MAPT (0.68) MAPTKMT2ATP53CYP3A4ATM
SCHEMBL4447783 0.93 MAPT (0.68) MAPTKMT2ATP53CYP3A4ATM
SCHEMBL30382156 0.93 MAPT (0.68) MAPTKMT2ATP53CYP3A4ATM
SCHEMBL18957696 0.88 ABCG2 (0.57) MAPTTP53CYP3A4ABCG2MAOB
SCHEMBL26113525 0.87 ABCG2 (0.67) MAPTKMT2ATP53CYP3A4ATM
SCHEMBL25210849 0.87 MAPT (0.78) MAPTKMT2ATP53CYP3A4ATM
SCHEMBL12375235 0.86 ABCG2 (0.69) MAPTKMT2ATP53CYP3A4ATM
SCHEMBL18300074 0.86 ABCG2 (0.53) MAPTKMT2ATP53CYP3A4ABCG2
SCHEMBL18300075 0.86 ABCG2 (0.53) MAPTKMT2ATP53CYP3A4ABCG2

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
EP-2878197-B1 TISSUE PRESERVATION SOLUTION AND TISSUE PRESERVATION METHOD UNIV OSAKA (JP) 2018-12-26 EP disclosed
US-20150351380-A1 TISSUE-PRESERVING LIQUID AND TISSUE-PRESERVING METHOD OSAKA UNIVERSITY (JP) 2015-12-10 US disclosed
EP-2878197-A1 TISSUE-PRESERVING LIQUID AND TISSUE-PRESERVING METHOD Osaka University (JP) 2015-06-03 EP disclosed