SCHEMBL9224680

SCHEMBL9224680

CCCCCCCCCc1cccc(-c2ccccc2-c2cccc(F)c2F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
HTR7 P34969 2/20 0.43
RARB P10826 3/20 0.39
SPHK2 Q9NRA0 4/20 0.39
SPHK1 Q9NYA1 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
KCNH2 Q12809 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
SCHEMBL9223411 1.00 GPR3 (0.44) GPR3LPLLIPGHTR7RARB
SCHEMBL9221671 1.00 GPR3 (0.44) GPR3LPLLIPGHTR7RARB
SCHEMBL9225306 0.99 HTR7 (0.44) GPR3LPLLIPGHTR7SPHK2
SCHEMBL9221772 0.94 HTR7 (0.46) GPR3LPLLIPGHTR7
SCHEMBL9764031 0.92 GPR3 (0.45) GPR3LPLLIPGHTR7RARB
SCHEMBL9763652 0.92 GPR3 (0.45) GPR3LPLLIPGHTR7RARB
SCHEMBL9763735 0.92 GPR3 (0.45) GPR3LPLLIPGHTR7RARB
SCHEMBL9763636 0.92 GPR3 (0.45) GPR3LPLLIPGHTR7RARB
SCHEMBL9764332 0.92 GPR3 (0.45) GPR3LPLLIPGHTR7RARB
SCHEMBL9764076 0.91 GPR3 (0.43) GPR3LPLLIPGHTR7RARB

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 1 patent. 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