SCHEMBL7794928

SCHEMBL7794928

CCCCCC(C)(C)c1cc(CCC(=O)O)cc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL5929167 0.92 GAA (0.47) THRATHRBGAAKMT2AFFAR4
SCHEMBL7796447 0.88 GAA (0.53) THRATHRBGAAKMT2ANPSR1
SCHEMBL7794905 0.87 THRA (0.42) THRATHRBGAAKMT2AFFAR4
SCHEMBL7792784 0.87 ALDH1A1 (0.41) THRATHRBCNR1CNR2ESR1
SCHEMBL8405268 0.86 THRA (0.41) THRATHRBGAAKMT2AFFAR4
SCHEMBL5850665 0.85 GAA (0.42) THRATHRBGAAKMT2AFFAR4
SCHEMBL7796634 0.84 THRA (0.45) THRATHRBFFAR4FFAR1CNR1
SCHEMBL7794926 0.84 GAA (0.40) THRATHRBGAAKMT2AFFAR4
SCHEMBL3810033 0.84 CNR2 (0.39) NPSR1CNR1CNR2
SCHEMBL2919350 0.83 PTGS2 (0.39) GAANPSR1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2602300-B1 PHOTOCHROMIC COMPOSITION TOKUYAMA CORP (JP) 2019-06-12 EP disclosed
US-9234984-B2 Photochromic composition TOKUYAMA CORPORATION (JP) 2016-01-12 US disclosed
US-20130215488-A1 Photochromic Composition TOKUYAMA CORPORATION (JP) 2013-08-22 US disclosed
EP-2602300-A1 PHOTOCHROMIC COMPOSITION Tokuyama Corporation (JP) 2013-06-12 EP disclosed
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