SCHEMBL9842462

SCHEMBL9842462

CCCCCCCCOc1ccc(-c2c(-c3ccc(F)cc3)ccc(C(=O)O)c2F)cc1.CCO[C@H]1CC[C@H](c2cc(-c3ccc(F)cc3F)ccc2C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.42
RARB P10826 5/20 0.42
RARA P10276 1/20 0.42
MCL1 Q07820 1/20 0.39
CAMKK1 Q8N5S9 3/20 0.38
CAMKK2 Q96RR4 3/20 0.38
FFAR4 Q5NUL3 2/20 0.37
PPARD Q03181 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
SSTR5 P35346 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
SCHEMBL9842456 0.87 RARB (0.48) PTPN11RARBRARAMCL1CAMKK1
SCHEMBL9842253 0.85 KDM4E (0.43) PTPN11RARBRARAMCL1CAMKK1
SCHEMBL9842723 0.84 TTR (0.44) RARBRARAMCL1CAMKK1CAMKK2
SCHEMBL9842584 0.82 PTPN11 (0.57) PTPN11RARBRARAMCL1
SCHEMBL9842467 0.82 PTPN11 (0.57) PTPN11RARBRARAMCL1
SCHEMBL9842489 0.81 TTR (0.46) RARBRARAMCL1CAMKK1CAMKK2
SCHEMBL9842401 0.81 PTPN11 (0.55) PTPN11RARBRARAMCL1PRKAB2
SCHEMBL9842652 0.77 TTR (0.45) RARBRARACAMKK1CAMKK2
SCHEMBL9842727 0.76 TTR (0.46) RARBRARACAMKK1CAMKK2
SCHEMBL9842537 0.75 RARB (0.48) PTPN11RARBRARAMCL1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed