SCHEMBL28065266

SCHEMBL28065266

CC(C)(C)c1c[c]cc(CN)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.39
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HIF1A Q16665 3/20 0.38
CA2 P00918 4/20 0.34
CA1 P00915 2/20 0.34
CYP2D6 P10635 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
CYP1A2 P05177 4/20 0.33
ALOX15 P16050 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL99193 0.79 CA2 (0.52) CYP2C9CYP2C19SMN1; SMN2HIF1ACA2
SCHEMBL3257726 0.77 GABRA1 (0.37) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL27712554 0.74 LMNA (0.32) LMNA
SCHEMBL27403125 0.73 AOC3 (0.35)
SCHEMBL28086411 0.71 LMNA (0.36) LMNA
SCHEMBL486898 0.71 CYP2C9 (0.48) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL3510896 0.71 CA2 (0.61) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL11675110 0.71 HSPA5 (0.48) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL28255561 0.71
SCHEMBL4788470 0.69 SMN1; SMN2 (0.39) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A

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
CN-105593714-A Long optical film, circularly polarizing plate provided with long optical film, and organic electroluminescent display device KONICA MINOLTA INC 2016-05-18 CN disclosed