SCHEMBL7786552

SCHEMBL7786552

CC(C)(C)CC(C)(C)c1cc(CCC(=O)O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
IAPP P10997 3/20 0.42
FFAR1 O14842 5/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KEAP1 Q14145 1/20 0.40
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
OR51E2 Q9H255 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38

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
SCHEMBL2491545 0.87 IAPP (0.46) RXRARXRBRXRGCA1CA2
SCHEMBL7796462 0.85 HPGD (0.54) RXRARXRBRXRGCA1CA2
SCHEMBL1537791 0.84 RXRA (0.53) RXRARXRBRXRGCA1CA2
SCHEMBL7786554 0.83 IAPP (0.48) RXRAIAPPFFAR1FFAR4ALOX5
SCHEMBL11361192 0.83 GAA (0.48) RXRARXRBRXRGFFAR1THRA
Ethylene SCHEMBL30206965 0.82 RXRA (0.50) RXRARXRBRXRGCA1CA2
SCHEMBL7792671 0.82 FFAR1 (0.47) RXRARXRBRXRGFFAR1FFAR4
SCHEMBL27684912 0.81 CNR1 (0.53) IAPPALOX5KAT8
SCHEMBL3814390 0.81 ALDH1A1 (0.52) CA1CA2ALDH1A1ALOX5
SCHEMBL7933761 0.80 APP (0.52) IAPPALOX5OR51E2

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