SCHEMBL9185437

SCHEMBL9185437

CC(C)(C)c1cc(CCNCCCCNCCCCCCCNCCCCNCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.54
GAA P10253 4/20 0.51
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 6/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
BLM P54132 2/20 0.47
ATM Q13315 2/20 0.47
HIF1A Q16665 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 2/20 0.47
SCN2A Q99250 2/20 0.47
GMNN O75496 1/20 0.46
GABBR2 O75899 1/20 0.46

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
SCHEMBL9185815 0.98 GSR (0.56) GSRGAAKMT2AALDH1A1TSHR
SCHEMBL9179928 0.93 GAA (0.58) GSRGAAKMT2AALDH1A1TSHR
SCHEMBL3952172 0.93 GAA (0.58) GSRGAAKMT2AALDH1A1TSHR
SCHEMBL9182795 0.93 GSR (0.61) GSRGAAKMT2AALDH1A1TSHR
SCHEMBL9184605 0.88 GAA (0.60) GSRGAAKMT2AALDH1A1TSHR
SCHEMBL9179922 0.86 GSR (0.73) GSRGAAKMT2AALDH1A1TSHR
SCHEMBL9180095 0.85 GSR (0.71) GSRGAAKMT2AALDH1A1TSHR
SCHEMBL9183790 0.85 GSR (0.71) GSRGAAKMT2AALDH1A1TSHR
SCHEMBL31169456 0.84 GSR (0.75) GSRGAAKMT2AALDH1A1TSHR
SCHEMBL18193748 0.81 ALDH1A1 (0.57) GSRGAAKMT2AALDH1A1TSHR

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-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