SCHEMBL7933946

SCHEMBL7933946

COc1c(C(C)(C)C)cc(CCC(=O)OCCO)cc1C1(C)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
ALOX5 P09917 1/20 0.34
S1PR1 P21453 4/20 0.33
ATM Q13315 1/20 0.32
KMT2A Q03164 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
S1PR3 Q99500 3/20 0.31
GAA P10253 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NTRK1 P04629 1/20 0.31
VCAM1 P19320 1/20 0.30

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
SCHEMBL8397560 0.90 KMT2A (0.39) ALDH1A1ALOX5KMT2ARARARARB
SCHEMBL7933911 0.88 GAA (0.39) ALDH1A1ALOX5KMT2AGAACYP4F2
SCHEMBL7933878 0.86 ALDH1A1 (0.40) ALDH1A1ALOX5S1PR1ATMKMT2A
SCHEMBL7941069 0.85 ALDH1A1 (0.37) ALDH1A1ALOX5S1PR1ATMKMT2A
SCHEMBL7942372 0.85 CYP26B1 (0.39) ALDH1A1KMT2ARARARARBRARG
SCHEMBL7940198 0.85 RARA (0.33) ALDH1A1RARARARBRARGTDP1
SCHEMBL8397561 0.83 ALOX5 (0.43) ALDH1A1ALOX5KMT2AGAACYP4F2
SCHEMBL6567008 0.82 TNKS2 (0.36) RARARARBRARG
SCHEMBL7941423 0.80 ALDH1A1 (0.46) ALDH1A1ALOX5ATMKMT2ANTRK1
SCHEMBL7940447 0.79 ALDH1A1 (0.44) ALDH1A1ALOX5S1PR1KMT2AS1PR3

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