SCHEMBL7942536

SCHEMBL7942536

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.57
SMN1; SMN2 Q16637 6/20 0.55
CYP2C19 P33261 6/20 0.55
CYP2C9 P11712 5/20 0.55
HIF1A Q16665 4/20 0.55
CYP2D6 P10635 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 5/20 0.49
CA2 P00918 2/20 0.49
POLB P06746 2/20 0.49
TYR P14679 1/20 0.49
MAPK1 P28482 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 3/20 0.41
LMNA P02545 4/20 0.38
TSHR P16473 3/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL7941092 0.85 CYP2C19 (0.49) HSPA5SMN1; SMN2CYP2C19CYP2C9HIF1A
SCHEMBL8411161 0.85 ALDH1A1 (0.62) HSPA5SMN1; SMN2CYP2C19CYP2C9HIF1A
SCHEMBL7943247 0.84 HSPA5 (0.58) HSPA5SMN1; SMN2CYP2C19CYP2C9HIF1A
SCHEMBL7933563 0.81 HSPA5 (0.55) HSPA5SMN1; SMN2CYP2C19CYP2C9HIF1A
SCHEMBL7941116 0.81 ALDH1A1 (0.47) HSPA5SMN1; SMN2CYP2C19CYP2C9HIF1A
SCHEMBL8410735 0.79 HSPA5 (0.57) HSPA5SMN1; SMN2CYP2C19CYP2C9HIF1A
SCHEMBL7944809 0.78 ALDH1A1 (0.71) HSPA5SMN1; SMN2CYP2C19CYP2C9HIF1A
SCHEMBL7933922 0.78 HSPA5 (0.55) HSPA5SMN1; SMN2CYP2C19CYP2C9HIF1A
SCHEMBL8411358 0.78 HSPA5 (0.55) HSPA5SMN1; SMN2CYP2C19CYP2C9HIF1A
SCHEMBL11002684 0.78 HSPA5 (0.68) HSPA5SMN1; SMN2CYP2C19CYP2C9HIF1A

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 1 patent. 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