SCHEMBL9842456

SCHEMBL9842456

CCCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1.CCO[C@H]1CC[C@H](c2cc(-c3ccc(F)cc3F)ccc2C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.48
RARA P10276 2/20 0.48
RARG P13631 1/20 0.39
PTPN11 Q06124 7/20 0.39
MCL1 Q07820 1/20 0.38
PPARD Q03181 2/20 0.37
CAMKK1 Q8N5S9 3/20 0.37
CAMKK2 Q96RR4 3/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL9842462 0.87 PTPN11 (0.42) RARBRARAPTPN11MCL1PPARD
SCHEMBL9842253 0.83 KDM4E (0.43) RARBRARARARGPTPN11MCL1
SCHEMBL9842723 0.83 TTR (0.44) RARBRARARARGMCL1PPARD
SCHEMBL9842489 0.79 TTR (0.46) RARBRARAMCL1CAMKK1CAMKK2
SCHEMBL9842460 0.79 RARB (0.61) RARBRARARARG
SCHEMBL9842575 0.79 RARB (0.61) RARBRARARARG
SCHEMBL9842396 0.78 RARB (0.62) RARBRARARARG
SCHEMBL13402130 0.78 RARB (0.52) RARBRARARARGPTPN11MCL1
SCHEMBL13402114 0.75 RARB (0.48) RARBRARARARGPTPN11MCL1
SCHEMBL10311590 0.75 RARB (0.48) RARBRARARARGPTPN11MCL1

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