SCHEMBL7941366

SCHEMBL7941366

CN(CCO)Cc1cccc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ALOX12 P18054 1/20 0.37
CYP2D6 P10635 4/20 0.37
CYP1A2 P05177 3/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
HIF1A Q16665 2/20 0.36

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
SCHEMBL14883384 0.88 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1KDM4E
SCHEMBL8409756 0.86 ALDH1A1 (0.55) CA2GABRA1GABRB2ALDH1A1KDM4E
SCHEMBL7941133 0.83 CA2 (0.47) CA2GABRA1GABRB2ALDH1A1KDM4E
SCHEMBL7944832 0.82 ALDH1A1 (0.48) CA2GABRA1GABRB2ALDH1A1KDM4E
SCHEMBL8055820 0.80 HSD17B10 (0.53) CA2GABRA1GABRB2ALDH1A1HPGD
SCHEMBL8407642 0.80 CA2 (0.47) CA2GABRA1GABRB2ALDH1A1KDM4E
SCHEMBL8411002 0.79 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1KDM4E
SCHEMBL14853268 0.78 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1KDM4E
SCHEMBL7942593 0.77 HIF1A (0.55) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL7943247 0.77 HSPA5 (0.58) CA2ALDH1A1KDM4EMAPTHPGD

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