SCHEMBL9560346

SCHEMBL9560346

CCc1ccc(-c2ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.37
PDK2 Q15119 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 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
SCHEMBL9560963 0.95 MAPT (0.50) POLBLMNAMAPTUSP2TSHR
SCHEMBL9560629 0.95 MAPT (0.50) POLBLMNAMAPTUSP2TSHR
SCHEMBL9560563 0.95 MAPT (0.50) POLBLMNAMAPTUSP2TSHR
SCHEMBL9560511 0.91 MAPT (0.41) POLBLMNAMAPTUSP2TSHR
SCHEMBL9560468 0.88 RARB (0.49) MAPTUSP2TSHRALDH1A1MEN1
SCHEMBL9560557 0.87 RARB (0.50) MAPTALDH1A1MEN1KMT2A
SCHEMBL9560288 0.87 MAPT (0.42) POLBLMNAMAPTUSP2TSHR
SCHEMBL9560341 0.87 MAPT (0.47) POLBLMNAMAPTUSP2TSHR
SCHEMBL9560959 0.87 MAPT (0.47) POLBLMNAMAPTUSP2TSHR
SCHEMBL9560410 0.87 MAPT (0.47) POLBLMNAMAPTUSP2TSHR

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