SCHEMBL14079281

SCHEMBL14079281

COC(=O)C(C(=O)C(C)C)C(c1ccc(F)cc1)C1CCCNC1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MAPT P10636 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL14079238 0.90 RAB9A (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL5108351 0.83 PTGS2 (0.38) ALDH1A1SLC6A3
SCHEMBL14097229 0.80 DPP4 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL14079295 0.78 DPP4 (0.32) MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL5101639 0.75 NPC1 (0.36) ALDH1A1MAPT
SCHEMBL13483112 0.74 TACR1 (0.35)
SCHEMBL6012706 0.72
SCHEMBL13482857 0.71 HTR2A (0.38)
SCHEMBL5094877 0.69 PSEN1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL5094876 0.68 SLC6A2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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-7420059-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7420059-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed