SCHEMBL8955916

SCHEMBL8955916

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(Cc2ccc(O)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.58
HIF1A Q16665 4/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
DHFR P00374 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 7/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
BLM P54132 2/20 0.44
ATM Q13315 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL292110 0.92 ESR1 (0.54) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL39543 0.90 HSPA5 (0.65) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL9475140 0.86 HSPA5 (0.70) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL9338699 0.86 ALDH1A1 (0.57) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL6847088 0.84 ESR1 (0.64) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL4056329 0.84 ESR1 (0.64) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL11248433 0.83 HSPA5 (0.76) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL9817016 0.82 HSPA5 (0.60) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL699786 0.82 HSPA5 (0.51) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL8955910 0.81 HSPA5 (0.51) 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