SCHEMBL8955910

SCHEMBL8955910

CC(C)(C)c1cc(Cc2cc(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(O)c(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(Cc2ccccc2O)cc(C(C)(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 3/20 0.51
▸ HIF1A Q16665 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ DHFR P00374 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPK1 P28482 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ BLM P54132 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL292109 0.94 HSPA5 (0.50) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL39543 0.87 HSPA5 (0.65) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL28384212 0.85 HSPA5 (0.53) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL30464059 0.85 HSPA5 (0.53) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL12620490 0.84 HSPA5 (0.77) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL9475140 0.84 HSPA5 (0.70) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL9817016 0.83 HSPA5 (0.60) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL8955916 0.81 HSPA5 (0.58) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL8772273 0.81 MEN1 (0.49) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL11248433 0.80 HSPA5 (0.76) HSPA5HIF1ACYP2C9CYP2C19SMN1; 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
EP-0323409-B1 Polyolefin compositions stabilized with long chain N,N-dialkylhydroxylamines CIBA GEIGY AG (CH) 1996-01-03 — — EP disclosed
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