SCHEMBL7796088

SCHEMBL7796088

COc1c(C)cc(C(C)(C)C)cc1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.52
RXRB P28702 3/20 0.52
NR1H4 Q96RI1 6/20 0.44
RXRG P48443 2/20 0.43
CD69 Q07108 2/20 0.42
ELANE P08246 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ABL1 P00519 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
RIN1 Q13671 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
ALOX15 P16050 1/20 0.36
SELP P16109 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7796138 0.86 RXRA (0.44) RXRARXRBNR1H4RXRGCD69
SCHEMBL7794927 0.84 RXRA (0.50) RXRARXRBNR1H4RXRGCD69
SCHEMBL7796518 0.84 NPSR1 (0.50) RXRARXRBNR1H4RXRGCD69
SCHEMBL13452244 0.81 DHFR (0.41) RXRARXRBCD69ELANEALDH1A1
SCHEMBL8433317 0.80 PTGS2 (0.37) RXRARXRBCD69ELANEALDH1A1
SCHEMBL12929955 0.80 MAPT (0.43) RXRARXRBALDH1A1POLBMAPT
SCHEMBL18050555 0.79 RXRA (0.48) RXRARXRBNR1H4RXRGCD69
SCHEMBL7848211 0.78 POLB (0.48) RXRARXRBCD69ELANEALDH1A1
SCHEMBL7792880 0.78 RXRB (0.56) RXRARXRBNR1H4RXRGCD69
SCHEMBL13772113 0.76 ALDH1A1 (0.40) RXRARXRBALDH1A1HSD17B10KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
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-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed