SCHEMBL7944826

SCHEMBL7944826

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.40
MGLL Q99685 1/20 0.37
CNR2 P34972 1/20 0.36
ALOX5 P09917 1/20 0.36
TNKS2 Q9H2K2 2/20 0.36
GAA P10253 2/20 0.35
KCNH2 Q12809 1/20 0.35
TNFRSF1A P19438 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
DGKA P23743 1/20 0.34
DHFR P00374 1/20 0.34

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
SCHEMBL7941137 0.94 VCAM1 (0.42) VCAM1CNR2ALOX5TNKS2GAA
SCHEMBL7933883 0.93 VCAM1 (0.39) VCAM1MGLLCNR2ALOX5TNKS2
SCHEMBL7944487 0.92 VCAM1 (0.43) VCAM1CNR2ALOX5TNKS2GAA
SCHEMBL8397561 0.92 ALOX5 (0.43) VCAM1ALOX5GAA
SCHEMBL7942347 0.87 CNR2 (0.40) VCAM1MGLLCNR2ALOX5GAA
SCHEMBL7940008 0.87 ALOX5 (0.41) VCAM1ALOX5TNKS2GAA
SCHEMBL7944894 0.87 ALOX5 (0.38) VCAM1ALOX5GAA
SCHEMBL7940264 0.87 VCAM1 (0.41) VCAM1CNR2ALOX5TNKS2
SCHEMBL7933635 0.87 VCAM1 (0.41) VCAM1CNR2ALOX5TNKS2GAA
SCHEMBL7933616 0.86 GAA (0.49) VCAM1CNR2GAA

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 3 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
US-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed