SCHEMBL8397208

SCHEMBL8397208

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARG P13631 2/20 0.36
RXRA P19793 2/20 0.36
PPARG P37231 2/20 0.36
VCAM1 P19320 5/20 0.35
ALOX5 P09917 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
ELANE P08246 1/20 0.32
CD69 Q07108 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TNFRSF1A P19438 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
SCHEMBL7943101 0.94 ALOX5 (0.37) RARGRXRAPPARGVCAM1ALOX5
SCHEMBL7940443 0.93 VCAM1 (0.37) RARGRXRAPPARGVCAM1CYP4F2
SCHEMBL8430287 0.89 CYP4F2 (0.36) ALOX5CYP4F2CYP4A11ELANECD69
SCHEMBL7933544 0.88 RXRA (0.42) RARGRXRAPPARGVCAM1CYP4F2
SCHEMBL7933984 0.88 ALDH1A1 (0.37) VCAM1ALOX5CYP4F2CYP4A11ALDH1A1
SCHEMBL8434295 0.87 RXRA (0.37) RARGRXRAPPARGVCAM1ELANE
SCHEMBL14874558 0.87 CYP4F2 (0.43) RARGRXRAPPARGVCAM1CYP4F2
SCHEMBL7941206 0.85 VCAM1 (0.39) VCAM1CYP4F2CYP4A11ALDH1A1
SCHEMBL8397561 0.82 ALOX5 (0.43) VCAM1ALOX5CYP4F2CYP4A11ALDH1A1
SCHEMBL7941054 0.81 CYP4F2 (0.35) RXRAVCAM1CYP4F2CYP4A11ELANE

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-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