SCHEMBL9228752

SCHEMBL9228752

CCCCCCCOc1ccc(-c2ccc(-c3ccc(OC(F)F)c(F)c3)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.42
PTPN11 Q06124 2/20 0.42
RARA P10276 1/20 0.42
NR5A1 Q13285 1/20 0.40
MGLL Q99685 3/20 0.39
FAAH O00519 7/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 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
SCHEMBL9225663 1.00 RARB (0.42) RARBPTPN11RARANR5A1MGLL
SCHEMBL9226457 1.00 RARB (0.42) RARBPTPN11RARANR5A1MGLL
SCHEMBL9219019 1.00 RARB (0.42) RARBPTPN11RARANR5A1MGLL
SCHEMBL9227230 1.00 RARB (0.42) RARBPTPN11RARANR5A1MGLL
SCHEMBL9220465 0.99 RARB (0.43) RARBPTPN11RARANR5A1MGLL
SCHEMBL9227318 0.96 RARB (0.44) RARBPTPN11RARANR5A1MGLL
SCHEMBL9228687 0.96 RARB (0.44) RARBPTPN11RARANR5A1MGLL
SCHEMBL9227139 0.96 RARB (0.44) RARBPTPN11RARANR5A1MGLL
SCHEMBL9227208 0.96 RARA (0.44) RARBPTPN11RARAMGLLFAAH
SCHEMBL9228096 0.95 RARB (0.45) RARBPTPN11RARANR5A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413785-B1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK PATENT GMBH (DE) 1995-12-20 EP disclosed
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