SCHEMBL7402957

SCHEMBL7402957

C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1ccc(OCC(=O)O)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR34 Q9UPC5 5/20 0.54
▸ MME P08473 7/20 0.51
▸ ACE P12821 7/20 0.51
▸ CPA1 P15085 7/20 0.51
▸ ACE2 Q9BYF1 7/20 0.51
▸ ITGB3 P05106 2/20 0.47
▸ ITGA2B P08514 2/20 0.47
▸ MAOB P27338 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ PRSS1 P07477 1/20 0.44

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
SCHEMBL5967225 0.92 ALDH1A1 (0.50) GPR34MMEACECPA1ACE2
SCHEMBL5967322 0.87 MME (0.53) GPR34MMEACECPA1ACE2
SCHEMBL27996333 0.87 MME (0.53) GPR34MMEACECPA1ACE2
SCHEMBL7366981 0.84 PSEN1 (0.44) MMEACECPA1ACE2
SCHEMBL5966796 0.81 MEN1 (0.48) GPR34HDAC3HDAC4HDAC1HDAC7
SCHEMBL5967052 0.80 ALDH1A1 (0.57) —
SCHEMBL27563567 0.80 ALDH1A1 (0.57) —
SCHEMBL5967298 0.80 PSEN1 (0.52) —
SCHEMBL5967001 0.79 TSHR (0.55) —
SCHEMBL7371199 0.78 PSEN1 (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 — — EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS — 1998-08-20 — — WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 — — WO disclosed
Send feedback