SCHEMBL7940376

SCHEMBL7940376

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
VCAM1 P19320 2/20 0.36
MGLL Q99685 1/20 0.36
BRD4 O60885 1/20 0.35
ALOX5 P09917 1/20 0.35
CNR1 P21554 6/20 0.35
CYP4Z1 Q86W10 1/20 0.34
CYP4F11 Q9HBI6 1/20 0.34
CYP4F12 Q9HCS2 1/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 2/20 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
SCHEMBL7933900 0.94 VCAM1 (0.38) CNR2CYP4F2CYP4A11VCAM1BRD4
SCHEMBL7944732 0.93 VCAM1 (0.39) CNR2CYP4F2CYP4A11VCAM1BRD4
SCHEMBL7940450 0.93 CYP4F2 (0.44) CYP4F2CYP4A11VCAM1ALOX5S1PR1
SCHEMBL7942347 0.93 CNR2 (0.40) CNR2CYP4F2CYP4A11VCAM1MGLL
SCHEMBL7933661 0.89 CYP4F2 (0.42) CNR2CYP4F2CYP4A11VCAM1BRD4
SCHEMBL7933883 0.88 VCAM1 (0.39) CNR2CYP4F2CYP4A11VCAM1MGLL
SCHEMBL7940177 0.87 VCAM1 (0.40) CNR2CYP4F2CYP4A11VCAM1BRD4
SCHEMBL7940366 0.86 VCAM1 (0.41) CNR2CYP4F2CYP4A11VCAM1BRD4
SCHEMBL7933690 0.86 CYP4F2 (0.44) CNR2CYP4F2CYP4A11VCAM1MGLL
SCHEMBL7944812 0.83 GAA (0.42) CNR2VCAM1MGLL

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