SCHEMBL9842564

SCHEMBL9842564

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
APP P05067 2/20 0.37
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
RARB P10826 2/20 0.36
FAAH O00519 2/20 0.36
DPP4 P27487 1/20 0.36
RARA P10276 1/20 0.36
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9842513 0.98 RARB (0.40) FFAR4APPS1PR1S1PR3RARB
SCHEMBL9842653 0.97 RARB (0.41) FFAR4APPS1PR1S1PR3RARB
SCHEMBL9842639 0.97 RARB (0.41) FFAR4APPS1PR1S1PR3RARB
SCHEMBL9842488 0.97 RARB (0.41) FFAR4APPS1PR1S1PR3RARB
SCHEMBL9842354 0.97 RARB (0.41) FFAR4APPS1PR1S1PR3RARB
SCHEMBL9842705 0.97 RARB (0.41) FFAR4APPS1PR1S1PR3RARB
SCHEMBL9842474 0.95 APP (0.38) FFAR4APPDPP4KDM4EHPGD
SCHEMBL9842435 0.91 APP (0.40) FFAR4APPDPP4KDM4EHPGD
SCHEMBL11100906 0.88 FAAH (0.43) RARBFAAHRARAHTTKMT2A
SCHEMBL11100904 0.88 FAAH (0.43) RARBFAAHRARAHTTKMT2A

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