SCHEMBL7944832

SCHEMBL7944832

CCN(CCO)Cc1cccc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA2 P00918 1/20 0.46
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
ALOX12 P18054 1/20 0.39
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL8409756 0.92 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDMAPK1MAPT
SCHEMBL8407642 0.84 CA2 (0.47) ALDH1A1KDM4EHPGDMAPK1MAPT
SCHEMBL8411002 0.82 CA2 (0.46) ALDH1A1KDM4EHPGDMAPK1MAPT
SCHEMBL7941366 0.82 CA2 (0.48) ALDH1A1KDM4EHPGDMAPK1MAPT
SCHEMBL7941133 0.81 CA2 (0.47) ALDH1A1KDM4EHPGDMAPK1MAPT
SCHEMBL23964427 0.80 CA2 (0.50) ALDH1A1CA2GABRA1GABRB2TSHR
SCHEMBL14853268 0.79 CA2 (0.48) ALDH1A1KDM4EHPGDMAPK1MAPT
SCHEMBL13405904 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPK1MAPT
SCHEMBL7942660 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPK1MAPT
SCHEMBL7933563 0.78 HSPA5 (0.55) ALDH1A1KDM4EHPGDMAPK1MAPT

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