SCHEMBL7944941

SCHEMBL7944941

CN(CCO)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.73
MAPT P10636 4/20 0.73
KDM4E B2RXH2 4/20 0.73
MAPK1 P28482 3/20 0.73
HPGD P15428 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
HTT P42858 1/20 0.73
TSHR P16473 4/20 0.66
LMNA P02545 4/20 0.66
GAA P10253 4/20 0.66
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 3/20 0.50
GSR P00390 2/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 2/20 0.50
ATM Q13315 2/20 0.50
HIF1A Q16665 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GMNN O75496 1/20 0.50

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
SCHEMBL7944793 0.91 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL7940399 0.90 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL7942671 0.89 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL6656123 0.87 ALDH1A1 (0.78) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL13058173 0.86 ALDH1A1 (0.71) ALDH1A1MAPTKDM4EMAPK1HPGD
Hydrochloric Acid SCHEMBL8844291 0.85 ALDH1A1 (0.75) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL7943222 0.85 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMAPK1HPGD
Ambunol SCHEMBL5991371 0.84 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL9417012 0.84 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL14279406 0.84 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EMAPK1HPGD

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
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
US-5874494-A DETERIORATION STABILIZER FOR THERMOPLASTIC RESIN; OXIDATION RESISTANCE, DISCOLORATION INHIBITION, HEAT RESISTANCE, CROSSLINKING INHIBITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
US-5358652-A Using 3,5-dihydrocarbyl-4-hydroxybenzylamine compound ETHYL PETROLEUM ADDITIVES, LIMITED (GB) 1994-10-25 US disclosed