SCHEMBL7794935

SCHEMBL7794935

COc1c(C2CCCCC2)cc(CCC(=O)O)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
ALDH1A1 P00352 2/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.41
SIGMAR1 Q99720 1/20 0.38
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ABCB1 P08183 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GAA P10253 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
SCHEMBL7786559 0.88 THRB (0.46) THRATHRBALDH1A1PTGDR2GAA
SCHEMBL7941423 0.85 ALDH1A1 (0.46) ALDH1A1SIGMAR1KMT2AMEN1ABCB1
SCHEMBL7796368 0.85 KMT2A (0.47) THRATHRBALDH1A1PTGDR2KMT2A
SCHEMBL7795938 0.85 THRA (0.51) THRATHRBALDH1A1PTGDR2SIGMAR1
SCHEMBL6567759 0.85 ALDH1A1 (0.36) ALDH1A1PTGDR2SIGMAR1KMT2AMEN1
SCHEMBL7794938 0.84 THRA (0.47) THRATHRBALDH1A1PTGDR2SIGMAR1
SCHEMBL7796603 0.83 GAA (0.45) THRATHRBKMT2AFFAR1RXRA
SCHEMBL6567002 0.82 TNKS2 (0.40) ALDH1A1PTGDR2
Triethylene Glycol SCHEMBL9068864 0.79 KMT2A (0.40) THRATHRBALDH1A1PTGDR2S1PR1
SCHEMBL7794874 0.78 KMT2A (0.42) PTGDR2KMT2A

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