SCHEMBL9179986

SCHEMBL9179986

CC(C)(C)c1cc(NCCCNCCCCCNCCCNc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.45
ALDH1A1 P00352 6/20 0.45
GAA P10253 6/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN2A Q99250 1/20 0.40
TSHR P16473 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39
ATM Q13315 2/20 0.39
HIF1A Q16665 2/20 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
SCHEMBL9183673 1.00 GSR (0.45) GSRALDH1A1GAATDP1CA2
SCHEMBL9181112 0.98 GSR (0.46) GSRALDH1A1GAATDP1CA2
SCHEMBL9177808 0.97 GSR (0.47) GSRALDH1A1GAATDP1CA2
SCHEMBL9179960 0.97 GSR (0.47) GSRALDH1A1GAATDP1CA2
SCHEMBL31438700 0.93 GAA (0.50) GSRALDH1A1GAATDP1CA2
SCHEMBL28339351 0.87 GAA (0.45) GSRALDH1A1GAATDP1CA2
SCHEMBL10621223 0.85 GAA (0.46) GSRALDH1A1GAATDP1CA2
SCHEMBL9179281 0.81 GAA (0.46) GSRALDH1A1GAATDP1CA2
SCHEMBL9183790 0.80 GSR (0.71) GSRALDH1A1GAACA2CA1
SCHEMBL9180095 0.80 GSR (0.71) GSRALDH1A1GAACA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495450-B1 Polyamine phenols as radioprotective agents MERRELL DOW PHARMA (US) 1995-07-26 EP claimed
US-5354782-A Polyamine phenols as radioprotective agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-11 US claimed
EP-0495450-A2 Polyamine phenols as radioprotective agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-22 EP claimed
EP-0495450-B1 Polyamine phenols as radioprotective agents MERRELL DOW PHARMA (US) 1995-07-26 EP disclosed
US-5354782-A Polyamine phenols as radioprotective agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-11 US disclosed
EP-0495450-A2 Polyamine phenols as radioprotective agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-22 EP disclosed