SCHEMBL9842442

SCHEMBL9842442

CCC=CCC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(F)cc3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.35
CA2 P00918 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
APP P05067 1/20 0.34
F10 P00742 1/20 0.34
FAAH O00519 1/20 0.34
PTGS2 P35354 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
F2 P00734 1/20 0.33
DPP4 P27487 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL9842371 0.88 CA2 (0.39) FFAR4CA2ATMKMT2AHTT
SCHEMBL9842698 0.87 TP53 (0.40) CA2ATMKMT2AHTTKDM4E
SCHEMBL9842603 0.86 RARB (0.39) CA2ATMFAAH
SCHEMBL9842608 0.85 RARB (0.40) FAAHPTGS2
SCHEMBL9842649 0.85 RARB (0.40) FAAHPTGS2
SCHEMBL9842792 0.85 RARB (0.40) FAAHPTGS2
SCHEMBL9842569 0.85 RARB (0.40) FAAHPTGS2
SCHEMBL9842479 0.85 RARB (0.40) FAAHPTGS2
SCHEMBL9842516 0.83 RORC (0.34) FFAR4ATMKMT2AHTTKDM4E
SCHEMBL9842435 0.81 APP (0.40) FFAR4ATMKMT2AHTTKDM4E

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