SCHEMBL7940022

SCHEMBL7940022

CC(C)(C)c1cccc(CCC(=O)OCCO)c1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
CA2 P00918 1/20 0.42
IAPP P10997 4/20 0.41
CDYL Q9Y232 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL7941351 0.92 CYP4F2 (0.42) CYP4F2CYP4A11CA2IAPPTDP1
SCHEMBL7942488 0.84 CYP4F2 (0.42) CYP4F2CYP4A11CDYLTDP1KDM4E
SCHEMBL10427578 0.83 CA2 (0.52) CYP4F2CYP4A11CA2IAPPTDP1
SCHEMBL7942330 0.82 CYP4F2 (0.46) CYP4F2CYP4A11CDYLTDP1KDM4E
SCHEMBL18554836 0.82 CA2 (0.46) CYP4F2CYP4A11CA2IAPPTDP1
SCHEMBL7940083 0.80 HSPA5 (0.51) CYP4F2CYP4A11CA2ALOX5ALDH1A1
SCHEMBL7941206 0.80 VCAM1 (0.39) CYP4F2CYP4A11ALDH1A1GAANPSR1
SCHEMBL4975584 0.78 CA2 (0.52) CA2IAPPGABRA1GABRB2NPSR1
SCHEMBL30501159 0.78 CA2 (0.52) CA2IAPPGABRA1GABRB2NPSR1
SCHEMBL3809080 0.77 CA2 (0.59) CA2IAPPTDP1KDM4EGABRA1

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
EP-0861847-A2 Stabilizer composition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-02 EP disclosed