SCHEMBL7933767

SCHEMBL7933767

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ALOX5 P09917 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KMT2A Q03164 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
APP P05067 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL7940316 0.90 ALDH1A1 (0.42) ALDH1A1ALOX5CYP4F2CYP4A11KMT2A
SCHEMBL7944894 0.90 ALOX5 (0.38) ALDH1A1ALOX5CYP4F2CYP4A11KMT2A
SCHEMBL7940447 0.88 ALDH1A1 (0.44) ALDH1A1ALOX5CYP4F2CYP4A11KMT2A
SCHEMBL7942500 0.88 KMT2A (0.37) ALDH1A1ALOX5CYP4F2CYP4A11KMT2A
SCHEMBL7933770 0.87 CNR2 (0.39) ALDH1A1ALOX5CYP4F2CYP4A11
SCHEMBL7940280 0.86 ALOX5 (0.39) ALDH1A1ALOX5CYP4F2CYP4A11KMT2A
SCHEMBL7933883 0.84 VCAM1 (0.39) ALDH1A1ALOX5CYP4F2CYP4A11KMT2A
SCHEMBL7943087 0.84 ALDH1A1 (0.42) ALDH1A1ALOX5CYP4F2CYP4A11KMT2A
SCHEMBL7796633 0.83 FFAR4 (0.41) ALDH1A1KMT2ALMNA
SCHEMBL6567275 0.83 TNKS2 (0.33) LMNACYP3A4SMN1; SMN2

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