SCHEMBL7944894

SCHEMBL7944894

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GAA P10253 2/20 0.34
VCAM1 P19320 3/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.33
NTRK1 P04629 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
SCHEMBL8397561 0.92 ALOX5 (0.43) ALOX5ALDH1A1KMT2ATDP1CYP4F2
SCHEMBL7933767 0.90 ALDH1A1 (0.41) ALOX5ALDH1A1KMT2ATDP1CYP4F2
SCHEMBL7940250 0.89 ALOX5 (0.39) ALOX5ALDH1A1KMT2ATDP1CYP4F2
SCHEMBL7942500 0.89 KMT2A (0.37) ALOX5ALDH1A1KMT2ATDP1CYP4F2
SCHEMBL7944896 0.87 CNR2 (0.39) ALOX5KMT2AGAA
SCHEMBL7944826 0.87 VCAM1 (0.40) ALOX5GAAVCAM1
SCHEMBL7940008 0.87 ALOX5 (0.41) ALOX5ALDH1A1KMT2ATDP1CYP4F2
SCHEMBL7944692 0.86 GAA (0.47) ALOX5ALDH1A1KMT2AGAAVCAM1
SCHEMBL7940661 0.85 VCAM1 (0.41) ALOX5ALDH1A1KMT2ATDP1CYP4F2
SCHEMBL7940447 0.84 ALDH1A1 (0.44) ALOX5ALDH1A1KMT2ATDP1CYP4F2

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 1 patent. 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