SCHEMBL7940443

SCHEMBL7940443

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 7/20 0.37
RXRA P19793 3/20 0.35
PPARG P37231 2/20 0.35
RARG P13631 1/20 0.35
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CNR2 P34972 1/20 0.32
DGKA P23743 1/20 0.31
ELANE P08246 1/20 0.31
CD69 Q07108 1/20 0.31

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
SCHEMBL8397208 0.93 RARG (0.36) VCAM1RXRAPPARGRARGALDH1A1
SCHEMBL7941054 0.89 CYP4F2 (0.35) VCAM1RXRAMGLLALDH1A1TDP1
SCHEMBL7943136 0.88 VCAM1 (0.37) VCAM1MGLLALDH1A1TDP1CYP4F2
SCHEMBL7943101 0.87 ALOX5 (0.37) VCAM1RXRAPPARGRARGALDH1A1
SCHEMBL8434295 0.85 RXRA (0.37) VCAM1RXRAPPARGRARGALDH1A1
SCHEMBL7944826 0.83 VCAM1 (0.40) VCAM1MGLLCNR2DGKA
SCHEMBL7933896 0.82 CYP4F2 (0.40) VCAM1MGLLALDH1A1TDP1CYP4F2
SCHEMBL6567748 0.82 RARG (0.36) VCAM1RXRAPPARGRARGALDH1A1
SCHEMBL8430287 0.81 CYP4F2 (0.36) MGLLALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL7933544 0.81 RXRA (0.42) VCAM1RXRAPPARGRARGMGLL

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