SCHEMBL7940447

SCHEMBL7940447

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ALOX5 P09917 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 5/20 0.37
GAA P10253 3/20 0.36
VCAM1 P19320 2/20 0.36
MEN1 O00255 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
APP P05067 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL7933883 0.93 VCAM1 (0.39) ALDH1A1ALOX5CYP4F2CYP4A11KMT2A
SCHEMBL7943087 0.93 ALDH1A1 (0.42) ALDH1A1ALOX5CYP4F2CYP4A11TDP1
SCHEMBL8397561 0.92 ALOX5 (0.43) ALDH1A1ALOX5CYP4F2CYP4A11TDP1
SCHEMBL7940316 0.89 ALDH1A1 (0.42) ALDH1A1ALOX5CYP4F2CYP4A11TDP1
SCHEMBL35210206 0.88 ALDH1A1 (0.46) ALDH1A1ALOX5CYP4F2CYP4A11KMT2A
SCHEMBL7933767 0.88 ALDH1A1 (0.41) ALDH1A1ALOX5CYP4F2CYP4A11TDP1
SCHEMBL7940450 0.88 CYP4F2 (0.44) ALDH1A1ALOX5CYP4F2CYP4A11TDP1
SCHEMBL21778880 0.88 ALDH1A1 (0.42) ALDH1A1ALOX5CYP4F2CYP4A11TDP1
SCHEMBL8432326 0.87 KMT2A (0.38) ALDH1A1ALOX5TDP1KMT2AGAA
SCHEMBL7933635 0.87 VCAM1 (0.41) ALDH1A1ALOX5CYP4F2CYP4A11GAA

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