SCHEMBL7942652

SCHEMBL7942652

CCc1cc(CCC(=O)OCCO)cc(C(C)(C)C)c1OC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALOX5 P09917 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
GAA P10253 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NTRK1 P04629 1/20 0.36
APP P05067 1/20 0.35
VCAM1 P19320 1/20 0.34
S1PR1 P21453 1/20 0.34
HSPA5 P11021 1/20 0.34

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 0.91 ALOX5 (0.43) KMT2AALOX5CYP4F2CYP4A11GAA
SCHEMBL7942509 0.91 KMT2A (0.39) KMT2AALOX5CYP4F2CYP4A11GAA
SCHEMBL7942500 0.89 KMT2A (0.37) KMT2AALOX5CYP4F2CYP4A11GAA
SCHEMBL8430423 0.88 KMT2A (0.37) KMT2AALOX5GAAALDH1A1VCAM1
SCHEMBL7940250 0.87 ALOX5 (0.39) KMT2AALOX5CYP4F2CYP4A11GAA
SCHEMBL7940447 0.86 ALDH1A1 (0.44) KMT2AALOX5CYP4F2CYP4A11GAA
SCHEMBL7943101 0.86 ALOX5 (0.37) KMT2AALOX5CYP4F2CYP4A11GAA
SCHEMBL7942504 0.86 CNR2 (0.39) KMT2AALOX5
SCHEMBL7940204 0.85 HSPA5 (0.48) KMT2AALOX5CYP4F2CYP4A11GAA
SCHEMBL7940008 0.84 ALOX5 (0.41) KMT2AALOX5CYP4F2CYP4A11GAA

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