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SCHEMBL9560583

SCHEMBL9560583

CCCCCc1ccc(-c2ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 11/20 0.47
▸ MAPT P10636 2/20 0.46
▸ RARA P10276 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ FAAH O00519 1/20 0.43
▸ THRA P10827 3/20 0.39
▸ THRB P10828 3/20 0.39
▸ RARG P13631 1/20 0.39

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
SCHEMBL9560422 1.00 RARB (0.47) RARBMAPTRARAMEN1ALDH1A1
SCHEMBL9560590 1.00 RARB (0.47) RARBMAPTRARAMEN1ALDH1A1
SCHEMBL9560271 0.99 RARB (0.48) RARBMAPTRARAMEN1ALDH1A1
SCHEMBL9561004 0.99 RARB (0.48) RARBMAPTRARAMEN1ALDH1A1
SCHEMBL9560297 0.99 RARB (0.48) RARBMAPTRARAMEN1ALDH1A1
SCHEMBL13253013 0.97 MAPT (0.47) RARBMAPTRARAMEN1ALDH1A1
SCHEMBL9560468 0.96 RARB (0.49) RARBMAPTRARAMEN1ALDH1A1
SCHEMBL9560557 0.95 RARB (0.50) RARBMAPTRARAMEN1ALDH1A1
SCHEMBL9560341 0.92 MAPT (0.47) RARBMAPTRARAMEN1ALDH1A1
SCHEMBL9560410 0.92 MAPT (0.47) RARBMAPTRARAMEN1ALDH1A1

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
US-5190688-A Perfluoroalkyl Compounds Dopes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-02 — — US disclosed