SCHEMBL9220465

SCHEMBL9220465

CCCCCOc1ccc(-c2ccc(-c3ccc(OC(F)F)c(F)c3)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.43
RARA P10276 1/20 0.43
PTPN11 Q06124 2/20 0.40
NR5A1 Q13285 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
FAAH O00519 2/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
LTA4H P09960 1/20 0.38
MGLL Q99685 3/20 0.37
PPARD Q03181 1/20 0.37

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 0.99 RARB (0.42) RARBRARAPTPN11NR5A1S1PR1
SCHEMBL9228752 0.99 RARB (0.42) RARBRARAPTPN11NR5A1S1PR1
SCHEMBL9226457 0.99 RARB (0.42) RARBRARAPTPN11NR5A1S1PR1
SCHEMBL9227230 0.99 RARB (0.42) RARBRARAPTPN11NR5A1S1PR1
SCHEMBL9219019 0.99 RARB (0.42) RARBRARAPTPN11NR5A1S1PR1
SCHEMBL9227208 0.97 RARA (0.44) RARBRARAPTPN11S1PR1S1PR3
SCHEMBL9228096 0.96 RARB (0.45) RARBRARAPTPN11NR5A1FAAH
SCHEMBL9227139 0.95 RARB (0.44) RARBRARAPTPN11NR5A1FAAH
SCHEMBL9227318 0.95 RARB (0.44) RARBRARAPTPN11NR5A1FAAH
SCHEMBL9228687 0.95 RARB (0.44) RARBRARAPTPN11NR5A1FAAH

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