SCHEMBL7944487

SCHEMBL7944487

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.43
TNKS2 Q9H2K2 2/20 0.40
CNR2 P34972 5/20 0.38
ALOX5 P09917 1/20 0.35
CNR1 P21554 4/20 0.35
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL7941137 0.96 VCAM1 (0.42) VCAM1TNKS2CNR2ALOX5CNR1
SCHEMBL7940264 0.94 VCAM1 (0.41) VCAM1TNKS2CNR2ALOX5CNR1
SCHEMBL7940661 0.94 VCAM1 (0.41) VCAM1TNKS2ALOX5GAAALDH1A1
SCHEMBL7944826 0.92 VCAM1 (0.40) VCAM1TNKS2CNR2ALOX5GAA
SCHEMBL7933635 0.92 VCAM1 (0.41) VCAM1TNKS2CNR2ALOX5CYP3A4
SCHEMBL7940008 0.90 ALOX5 (0.41) VCAM1TNKS2ALOX5GAAALDH1A1
SCHEMBL7940366 0.88 VCAM1 (0.41) VCAM1CNR2ALOX5CNR1ALDH1A1
SCHEMBL7933883 0.88 VCAM1 (0.39) VCAM1TNKS2CNR2ALOX5CYP3A4
SCHEMBL7943087 0.88 ALDH1A1 (0.42) VCAM1TNKS2ALOX5CYP3A4GAA
SCHEMBL7942276 0.87 VCAM1 (0.50) VCAM1TNKS2CNR2CYP3A4GAA

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