SCHEMBL10698399

SCHEMBL10698399

Cc1cc(C(C)(C)C)c(OC(=O)C(CCOCCOCCC(Cc2cc(C)c(O)c(C(C)(C)C)c2)C(=O)O)Cc2cc(C)c(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.38
HSPA5 P11021 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HMGCR P04035 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 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
SCHEMBL106873 0.89 HMGCR (0.40) CYP2C9CYP2C19HIF1ACYP2D6HMGCR
SCHEMBL30232599 0.89 HMGCR (0.40) CYP2C9CYP2C19HIF1ACYP2D6HMGCR
SCHEMBL3251285 0.83 HMGCR (0.39) CYP2C9CYP2C19HIF1ACYP2D6HMGCR
SCHEMBL30232797 0.82 GAA (0.39) VCAM1CYP2C9CYP2C19HMGCR
SCHEMBL8954729 0.82 HMGCR (0.46) VCAM1CYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL11619679 0.81 HMGCR (0.47) CYP2C9CYP2C19HIF1ACYP2D6HMGCR
SCHEMBL3192398 0.79 VCAM1 (0.42) VCAM1HSPA5CYP2C9CYP2C19HIF1A
SCHEMBL3806242 0.79 VCAM1 (0.42) VCAM1HSPA5CYP2C9CYP2C19HIF1A
SCHEMBL29228065 0.79 CYP1A2 (0.45) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29409721 0.79 HSPA5 (0.38) VCAM1HSPA5CYP2C9CYP2C19HIF1A

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-0263068-A1 Compositions stabilized with substituted benzylhydroxylamines CIBA-GEIGY AG (CH) 1988-04-06 EP disclosed