SCHEMBL7795938

SCHEMBL7795938

COc1c(C)cc(CCC(=O)O)cc1C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.51
THRB P10828 3/20 0.51
ALDH1A1 P00352 3/20 0.44
PTGDR2 Q9Y5Y4 4/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL7792920 0.87 THRB (0.49) THRATHRBALDH1A1PTGDR2S1PR1
SCHEMBL7794938 0.86 THRA (0.47) THRATHRBALDH1A1PTGDR2SIGMAR1
SCHEMBL7794935 0.85 THRA (0.46) THRATHRBALDH1A1PTGDR2S1PR1
SCHEMBL7933549 0.84 ALDH1A1 (0.47) THRATHRBALDH1A1S1PR1S1PR3
SCHEMBL6568807 0.84 ALDH1A1 (0.38) ALDH1A1PTGDR2SIGMAR1MEN1KMT2A
SCHEMBL7792116 0.83 THRA (0.45) THRATHRBPTGDR2S1PR1S1PR3
SCHEMBL2200312 0.82 THRA (0.49) THRATHRBPTGDR2S1PR1S1PR3
SCHEMBL3669296 0.82 NPSR1 (0.52) THRATHRBALDH1A1FFAR4FFAR1
SCHEMBL6567794 0.82 TNKS2 (0.42) ALDH1A1PTGDR2
SCHEMBL7792860 0.78 PTGDR2 (0.55) PTGDR2MEN1KMT2AFFAR4FFAR1

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 4 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
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed