SCHEMBL7942316

SCHEMBL7942316

COc1ccc(CCC(=O)OCCO)cc1C(C)(C)CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
APP P05067 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NR3C1 P04150 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
OR51E2 Q9H255 1/20 0.37
NR3C2 P08235 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL7943120 0.88 ALOX5 (0.46) ALOX5APPCYP4F2CYP4A11TDP1
SCHEMBL7942317 0.87 LTA4H (0.43) ALOX5CYP4F2CYP4A11CYP3A4
SCHEMBL7933761 0.86 APP (0.52) ALOX5APPCYP4F2CYP4A11TDP1
SCHEMBL7944778 0.83 ALOX5 (0.39) ALOX5APPSMN1; SMN2ALDH1A1MAPT
SCHEMBL7792671 0.83 FFAR1 (0.47) ALOX5NR3C1OR51E2
SCHEMBL6567361 0.82 NR3C1 (0.44) NR3C1NR3C2CYP3A4
SCHEMBL7944894 0.81 ALOX5 (0.38) ALOX5APPCYP4F2CYP4A11TDP1
SCHEMBL6567742 0.81 TNKS2 (0.45) ALOX5NR3C1NR3C2
SCHEMBL7933767 0.81 ALDH1A1 (0.41) ALOX5APPCYP4F2CYP4A11TDP1
SCHEMBL7942500 0.80 KMT2A (0.37) ALOX5APPCYP4F2CYP4A11TDP1

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-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