SCHEMBL7933922

SCHEMBL7933922

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.55
CYP2C19 P33261 5/20 0.54
CYP2C9 P11712 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HIF1A Q16665 3/20 0.54
CYP2D6 P10635 3/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 3/20 0.47
CA2 P00918 2/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
CYP1A2 P05177 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7933649 0.96 HSPA5 (0.54) HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL7943247 0.91 HSPA5 (0.58) HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL8410735 0.87 HSPA5 (0.57) HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL7940340 0.86 HIF1A (0.52) HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL15222415 0.85 HSPA5 (0.58) HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL8411358 0.83 HSPA5 (0.55) HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL7933627 0.82 HIF1A (0.51) HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL8411161 0.81 ALDH1A1 (0.62) HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL11002684 0.80 HSPA5 (0.68) HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL7940399 0.79 ALDH1A1 (0.64) CYP2C19CYP2C9SMN1; SMN2HIF1ACYP2D6

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