SCHEMBL7943136

SCHEMBL7943136

COc1c(CCCC(=O)OCCO)cc(C)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.37
HSPA5 P11021 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL7933984 0.93 ALDH1A1 (0.37) VCAM1HSPA5CYP4F2CYP4A11ALDH1A1
SCHEMBL7940443 0.88 VCAM1 (0.37) VCAM1CYP4F2CYP4A11MGLLALDH1A1
SCHEMBL7944981 0.85 HSPA5 (0.49) VCAM1HSPA5CYP4F2CYP4A11MGLL
SCHEMBL8430290 0.85 HSPA5 (0.38) VCAM1HSPA5ALDH1A1TDP1CYP2C9
SCHEMBL7944826 0.83 VCAM1 (0.40) VCAM1MGLL
SCHEMBL7933896 0.82 CYP4F2 (0.40) VCAM1CYP4F2CYP4A11MGLLALDH1A1
SCHEMBL7941054 0.82 CYP4F2 (0.35) VCAM1CYP4F2CYP4A11MGLLALDH1A1
SCHEMBL6567754 0.82 HSPA5 (0.44) VCAM1HSPA5ALDH1A1TDP1CYP2C9
SCHEMBL14874472 0.81 CYP4F2 (0.43) HSPA5CYP4F2CYP4A11ALDH1A1CYP2C9
SCHEMBL7933883 0.81 VCAM1 (0.39) VCAM1CYP4F2CYP4A11MGLLALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed