SCHEMBL7943087

SCHEMBL7943087

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
VCAM1 P19320 2/20 0.39
ALOX5 P09917 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
TNKS2 Q9H2K2 1/20 0.36
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
F2R P25116 1/20 0.34
APP P05067 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
SCHEMBL7940264 0.94 VCAM1 (0.41) ALDH1A1VCAM1ALOX5S1PR1S1PR3
SCHEMBL7940661 0.94 VCAM1 (0.41) ALDH1A1VCAM1ALOX5CYP4F2CYP4A11
SCHEMBL7940447 0.93 ALDH1A1 (0.44) ALDH1A1VCAM1ALOX5CYP4F2CYP4A11
SCHEMBL7933635 0.92 VCAM1 (0.41) ALDH1A1VCAM1ALOX5CYP4F2CYP4A11
SCHEMBL7940008 0.90 ALOX5 (0.41) ALDH1A1VCAM1ALOX5CYP4F2CYP4A11
SCHEMBL7933883 0.88 VCAM1 (0.39) ALDH1A1VCAM1ALOX5CYP4F2CYP4A11
SCHEMBL8434083 0.88 VCAM1 (0.38) ALDH1A1VCAM1ALOX5KMT2ATDP1
SCHEMBL7944487 0.88 VCAM1 (0.43) ALDH1A1VCAM1ALOX5CYP4F2CYP4A11
SCHEMBL7941362 0.87 GAA (0.44) VCAM1ALOX5CYP4F2CYP4A11TNKS2
SCHEMBL35210206 0.86 ALDH1A1 (0.46) ALDH1A1ALOX5CYP4F2CYP4A11KMT2A

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