SCHEMBL8535883

SCHEMBL8535883

O=CC1(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.45
SLC6A3 Q01959 9/20 0.45
SLC6A2 P23975 2/20 0.45
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
EPHX2 P34913 1/20 0.40
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL625374 0.93 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL22816524 0.88 MMP1 (0.41) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL28888791 0.82 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL4554666 0.77 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL23270140 0.76 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL23270139 0.76 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL1954322 0.76 ALDH1A1 (0.47) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL12047029 0.76 MAOA (0.44) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL8532718 0.75 SLC6A4 (0.47) SLC6A4KMT2ACTSDBACE1BACE2
SCHEMBL19955250 0.75 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2PIM1PIM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021078995-A1 SELECTIVE POLYPEPTIDE SYNTHESIS STALLING ASSAY AND COMPOUND UMC UTRECHT HOLDING B.V. (NL) 2021-04-29 WO disclosed
EP-3811945-A1 COMPOUNDS FOR TREATING AND PREVENTING GROWTH HORMONE RECEPTOR-DEPENDENT CONDITIONS UMC Utrecht Holding B.V. (NL) 2021-04-28 EP disclosed
US-5763700-A INSECTICIDES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-06-09 US disclosed
EP-0660815-B1 PESTICIDAL FLUOROOLEFINS BRITISH TECH GROUP (GB) 1997-04-16 EP disclosed
WO-1994006741-A1 PESTICIDAL FLUOROOLEFINS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-03-31 WO disclosed