SCHEMBL7944732

SCHEMBL7944732

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.39
CNR2 P34972 6/20 0.38
CNR1 P21554 6/20 0.36
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
BRD4 O60885 1/20 0.34
F2R P25116 1/20 0.34
ALOX5 P09917 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CYP4Z1 Q86W10 1/20 0.33
CYP4F11 Q9HBI6 1/20 0.33
CYP4F12 Q9HCS2 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
SCHEMBL7933900 0.97 VCAM1 (0.38) VCAM1CNR2CNR1CYP4F2CYP4A11
SCHEMBL7940376 0.93 CNR2 (0.37) VCAM1CNR2CNR1CYP4F2CYP4A11
SCHEMBL7940366 0.93 VCAM1 (0.41) VCAM1CNR2CNR1CYP4F2CYP4A11
SCHEMBL7933661 0.91 CYP4F2 (0.42) VCAM1CNR2CYP4F2CYP4A11BRD4
SCHEMBL7940264 0.90 VCAM1 (0.41) VCAM1CNR2CNR1F2RALOX5
SCHEMBL7940177 0.90 VCAM1 (0.40) VCAM1CNR2CNR1CYP4F2CYP4A11
SCHEMBL7933635 0.88 VCAM1 (0.41) VCAM1CNR2CYP4F2CYP4A11F2R
SCHEMBL8430371 0.88 VCAM1 (0.36) VCAM1CYP4F2CYP4A11F2R
SCHEMBL7943173 0.88 CYP4F2 (0.42) VCAM1CNR2CNR1CYP4F2CYP4A11
SCHEMBL7940450 0.86 CYP4F2 (0.44) VCAM1CYP4F2CYP4A11ALOX5S1PR1

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