SCHEMBL8430359

SCHEMBL8430359

CCOc1c(CC(=O)OCCO)cc(C)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXRA P19793 2/20 0.34
PPARG P37231 2/20 0.34
RARG P13631 1/20 0.34
CYP2D6 P10635 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33
VCAM1 P19320 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
SCHEMBL8433322 0.88 RXRA (0.43) SMN1; SMN2RXRAPPARGRARGVCAM1
SCHEMBL8430290 0.87 HSPA5 (0.38) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL8430391 0.82 THRB (0.39) SMN1; SMN2RXRAPPARGRARGHSD17B10
SCHEMBL7795955 0.81 THRB (0.44) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL8430289 0.81 CYP4F2 (0.38) HSPA5CYP2D6CYP3A4VCAM1
SCHEMBL8433459 0.81 MAPT (0.38) CYP2C9CYP2C19SMN1; SMN2RXRAPPARG
SCHEMBL8432825 0.81 NLRP3 (0.40) SMN1; SMN2GAAPTGS2
SCHEMBL7943147 0.80 VCAM1 (0.37) CYP2D6CYP3A4VCAM1
SCHEMBL7942361 0.80 RXRA (0.38) RXRAPPARGRARGCYP2D6HSD17B10
SCHEMBL6567747 0.76 HSPA5 (0.41) 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
US-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed