SCHEMBL7698659

SCHEMBL7698659

CC(C)(C)C(C(=O)O)[C@@H](Cc1ccc(F)c(F)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
SLC1A1 P43005 2/20 0.40
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
DPP4 P27487 2/20 0.37
PIN1 Q13526 1/20 0.37
MME P08473 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PPARA Q07869 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 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
SCHEMBL7698664 1.00 RIPK1 (0.42) RIPK1SLC1A1PTGS1PTGS2DPP4
SCHEMBL7698662 1.00 RIPK1 (0.42) RIPK1SLC1A1PTGS1PTGS2DPP4
SCHEMBL5813461 0.76 LDHA (0.51) RIPK1PTGS1PTGS2DPP4PIN1
SCHEMBL31067929 0.74 TBXAS1 (0.44) RIPK1PTGS1PTGS2DPP4PIN1
SCHEMBL6003686 0.74 TBXAS1 (0.44) RIPK1PTGS1PTGS2DPP4PIN1
SCHEMBL6005325 0.74 TBXAS1 (0.44) RIPK1PTGS1PTGS2DPP4PIN1
SCHEMBL6003677 0.74 TBXAS1 (0.44) RIPK1PTGS1PTGS2DPP4PIN1
SCHEMBL7230282 0.73 KDM6B (0.61) RIPK1DPP4PIN1MAOAMAOB
SCHEMBL7711037 0.73 KDM6B (0.61) RIPK1DPP4PIN1MAOAMAOB
SCHEMBL7429475 0.72 POLB (0.49) PPARAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed