SCHEMBL31279673

SCHEMBL31279673

Cc1cc(CCC(=O)OCCOCOCCOC(=O)CCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HIF1A Q16665 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
GAA P10253 3/20 0.35
VCAM1 P19320 3/20 0.33
APP P05067 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL466560 0.95 HSPA5 (0.53) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL30115160 0.95 HSPA5 (0.53) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL3173292 0.93 HSPA5 (0.57) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29200155 0.90 HSPA5 (0.48) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7940083 0.88 HSPA5 (0.51) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL15703447 0.88 HSPA5 (0.51) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL3809307 0.86 HSPA5 (0.49) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL30862169 0.82 HSPA5 (0.57) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL11817566 0.82 GAA (0.38) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7944981 0.81 HSPA5 (0.49) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2

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-119343385-A Free radical polymerizable composition and polymer thereof 株式会社日本触媒 2025-01-21 CN disclosed