SCHEMBL4435733

SCHEMBL4435733

CC(C)(C)C(=O)N1C(=O)C(C)(C(=O)O)CC1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MME P08473 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL1908592 1.00 FASN (0.35) FASNCCR5SMN1; SMN2TSHRMME
SCHEMBL598408 1.00 FASN (0.35) FASNCCR5SMN1; SMN2TSHRMME
SCHEMBL597903 1.00 FASN (0.35) FASNCCR5SMN1; SMN2TSHRMME
SCHEMBL597446 0.88 FASN (0.36) FASNCCR5SMN1; SMN2TSHRMME
SCHEMBL597445 0.88 FASN (0.36) FASNCCR5SMN1; SMN2TSHRMME
SCHEMBL598277 0.87 L3MBTL1 (0.37) CCR5SMN1; SMN2TSHRADAM17HPGD
SCHEMBL597038 0.87 L3MBTL1 (0.37) CCR5SMN1; SMN2TSHRADAM17HPGD
SCHEMBL1908590 0.87 L3MBTL1 (0.37) CCR5SMN1; SMN2TSHRADAM17HPGD
SCHEMBL598349 0.76 HCRTR1 (0.39) CCR5SMN1; SMN2TSHRMMEACE
SCHEMBL598350 0.76 HCRTR1 (0.39) CCR5SMN1; SMN2TSHRMMEACE

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
EP-2121578-A2 NEW PROCESS Novartis AG (CH) 2009-11-25 — — EP disclosed
WO-2008083967-A2 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2008-07-17 — — WO disclosed
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