SCHEMBL7944772

SCHEMBL7944772

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.84
KDM4E B2RXH2 5/20 0.84
MAPK1 P28482 4/20 0.84
MAPT P10636 4/20 0.84
HPGD P15428 3/20 0.84
SMN1; SMN2 Q16637 2/20 0.84
HTT P42858 1/20 0.84
LMNA P02545 4/20 0.57
TSHR P16473 4/20 0.57
GAA P10253 3/20 0.57
GSR P00390 2/20 0.47
RECQL P46063 1/20 0.47
CYP1A2 P05177 3/20 0.47
HIF1A Q16665 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 2/20 0.47
BLM P54132 2/20 0.47
ATM Q13315 2/20 0.47

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
Ambunol SCHEMBL5991371 0.92 ALDH1A1 (1.00) ALDH1A1KDM4EMAPK1MAPTHPGD
SCHEMBL7942343 0.91 ALDH1A1 (0.70) ALDH1A1KDM4EMAPK1MAPTHPGD
SCHEMBL4821251 0.88 ALDH1A1 (0.69) ALDH1A1KDM4EMAPK1MAPTHPGD
Hydrochloric Acid SCHEMBL8843636 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EMAPK1MAPTHPGD
SCHEMBL7941155 0.86 ALDH1A1 (0.63) ALDH1A1KDM4EMAPK1MAPTHPGD
SCHEMBL9416954 0.83 ALDH1A1 (0.77) ALDH1A1KDM4EMAPK1MAPTHPGD
SCHEMBL8407963 0.83 ALDH1A1 (0.82) ALDH1A1KDM4EMAPK1MAPTHPGD
SCHEMBL39169 0.82 ALDH1A1 (0.76) ALDH1A1KDM4EMAPK1MAPTHPGD
SCHEMBL8407894 0.82 ALDH1A1 (0.81) ALDH1A1KDM4EMAPK1MAPTHPGD
SCHEMBL5573048 0.81 ALDH1A1 (0.75) ALDH1A1KDM4EMAPK1MAPTHPGD

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