SCHEMBL9560308

SCHEMBL9560308

CCCc1ccc(-c2ccc(C(=O)OCC(F)(F)C(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RARB P10826 6/20 0.41
LMNA P02545 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
PLK1 P53350 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RARA P10276 1/20 0.40
MTOR P42345 1/20 0.40
THRB P10828 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
GAA P10253 2/20 0.39
ACACB O00763 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
SCHEMBL9560239 0.91 RARB (0.53) MAPTMEN1KMT2ARARBALDH1A1
SCHEMBL9560760 0.91 LMNA (0.49) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL9560789 0.90 RARB (0.54) MAPTMEN1KMT2ARARBALDH1A1
SCHEMBL9560846 0.87 RARB (0.45) MAPTNPSR1MEN1KMT2ARARB
SCHEMBL9560428 0.86 SMN1; SMN2 (0.58) MAPTL3MBTL1KDM4EALDH1A1THRB
SCHEMBL9560511 0.85 MAPT (0.41) MAPTMEN1KMT2ARARBLMNA
SCHEMBL9560341 0.83 MAPT (0.47) MAPTMEN1KMT2ARARBLMNA
SCHEMBL9560410 0.83 MAPT (0.47) MAPTMEN1KMT2ARARBLMNA
SCHEMBL9560959 0.83 MAPT (0.47) MAPTMEN1KMT2ARARBLMNA
SCHEMBL1496818 0.83 NPSR1 (0.51) MAPTNPSR1MEN1KMT2ALMNA

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
US-5190688-A Perfluoroalkyl Compounds Dopes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-02 US disclosed
EP-0300009-B1 LIQUID CRYSTALLINE MIXTURE MERCK PATENT GmbH (DE) 1992-01-02 EP disclosed