SCHEMBL9842513

SCHEMBL9842513

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.40
FFAR4 Q5NUL3 2/20 0.37
PTPN11 Q06124 2/20 0.37
APP P05067 1/20 0.36
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
FAAH O00519 2/20 0.35
DPP4 P27487 1/20 0.35
RARA P10276 1/20 0.35
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 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
SCHEMBL9842653 0.99 RARB (0.41) RARBFFAR4PTPN11APPS1PR1
SCHEMBL9842488 0.99 RARB (0.41) RARBFFAR4PTPN11APPS1PR1
SCHEMBL9842705 0.99 RARB (0.41) RARBFFAR4PTPN11APPS1PR1
SCHEMBL9842354 0.99 RARB (0.41) RARBFFAR4PTPN11APPS1PR1
SCHEMBL9842639 0.99 RARB (0.41) RARBFFAR4PTPN11APPS1PR1
SCHEMBL9842564 0.98 FFAR4 (0.39) RARBFFAR4APPS1PR1S1PR3
SCHEMBL9842474 0.93 APP (0.38) FFAR4APPDPP4KDM4EHPGD
SCHEMBL9842435 0.90 APP (0.40) FFAR4APPDPP4KDM4EHPGD
SCHEMBL11110290 0.88 FAAH (0.42) RARBFAAHRARAHTTKMT2A
SCHEMBL11110294 0.88 FAAH (0.42) 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