SCHEMBL9560410

SCHEMBL9560410

CCCc1ccc(-c2ccc(C(=O)OCC(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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
RARB P10826 6/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
PLK1 P53350 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
RARA P10276 1/20 0.35
MTOR P42345 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
THRB P10828 2/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9560959 1.00 MAPT (0.47) MAPTUSP2TSHRRARBLMNA
SCHEMBL9560341 1.00 MAPT (0.47) MAPTUSP2TSHRRARBLMNA
SCHEMBL9560511 0.95 MAPT (0.41) MAPTUSP2TSHRRARBLMNA
SCHEMBL9560422 0.92 RARB (0.47) MAPTUSP2TSHRRARBALDH1A1
SCHEMBL9560583 0.92 RARB (0.47) MAPTUSP2TSHRRARBALDH1A1
SCHEMBL9560590 0.92 RARB (0.47) MAPTUSP2TSHRRARBALDH1A1
SCHEMBL9560963 0.92 MAPT (0.50) MAPTUSP2TSHRLMNAPOLB
SCHEMBL9560629 0.92 MAPT (0.50) MAPTUSP2TSHRLMNAPOLB
SCHEMBL9560563 0.92 MAPT (0.50) MAPTUSP2TSHRLMNAPOLB
SCHEMBL9561004 0.91 RARB (0.48) MAPTUSP2TSHRRARBALDH1A1

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