SCHEMBL9427802

SCHEMBL9427802

CCCCCCC(Oc1ccc(I)cc1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.36
SLC6A4 P31645 1/20 0.35
FOLH1 Q04609 3/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
NR5A1 Q13285 1/20 0.33
SLC7A5 Q01650 2/20 0.32
CTSK P43235 1/20 0.32
CTRC Q99895 1/20 0.32
MMP9 P14780 4/20 0.30
MMP13 P45452 4/20 0.30
ADAM17 P78536 4/20 0.30
MMP1 P03956 3/20 0.30
PDK2 Q15119 1/20 0.30
PPARA Q07869 1/20 0.30
MLYCD O95822 1/20 0.30

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
SCHEMBL9850659 1.00 SLC2A1 (0.36) SLC2A1SLC6A4FOLH1PSEN1PSEN2
SCHEMBL9428488 0.85 SLC2A1 (0.39) SLC2A1NR5A1SLC7A5
SCHEMBL9428139 0.81 RARB (0.49) SLC2A1NR5A1
SCHEMBL9428394 0.81 MGLL (0.44) SLC2A1
SCHEMBL9428269 0.79 CYP3A4 (0.35) SLC6A4FOLH1
SCHEMBL9850700 0.79 CYP3A4 (0.32) SLC2A1
SCHEMBL10430533 0.79 PRSS1 (0.44) SLC6A4
SCHEMBL9427950 0.79 MGLL (0.47)
SCHEMBL9850763 0.79 MGLL (0.47)
Hydrochloric Acid SCHEMBL9428095 0.78 PRSS1 (0.46) SLC6A4

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
US-5290478-A Nitrile containing naphthylene compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-01 US disclosed
EP-0385692-B1 OPTCALLY ACTIVE COMPOUNDS SANYO CHEMICAL INDUSTRIES LTD. (JP) 1993-10-06 EP disclosed
US-5160662-A Improved response times SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-03 US disclosed
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed
EP-0385692-A2 Optcally active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1990-09-05 EP disclosed