SCHEMBL7943330

SCHEMBL7943330

CC(C)(C)c1cc(CNCCCO)cc(C(C)(C)C)c1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.81
SCN2A Q99250 2/20 0.59
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 4/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
BLM P54132 2/20 0.49
ATM Q13315 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GMNN O75496 1/20 0.49

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
SCHEMBL7941177 0.95 GSR (0.79) GSRSCN2AALDH1A1MAPK1MAPT
SCHEMBL7940126 0.91 GSR (0.68) GSRSCN2AALDH1A1MAPK1MAPT
SCHEMBL7933373 0.90 GSR (1.00) GSRSCN2AALDH1A1MAPK1MAPT
SCHEMBL31169456 0.90 GSR (0.75) GSRSCN2AALDH1A1MAPK1MAPT
SCHEMBL9181662 0.90 GSR (0.75) GSRSCN2AALDH1A1MAPK1MAPT
SCHEMBL9179922 0.88 GSR (0.73) GSRSCN2AALDH1A1MAPK1MAPT
SCHEMBL9183790 0.87 GSR (0.71) GSRSCN2AALDH1A1MAPK1MAPT
SCHEMBL9180095 0.87 GSR (0.71) GSRSCN2AALDH1A1MAPK1MAPT
SCHEMBL7942521 0.86 GSR (0.66) GSRSCN2AALDH1A1MAPK1MAPT
SCHEMBL19627028 0.84 GSR (0.67) GSRSCN2AALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed