SCHEMBL2781114

SCHEMBL2781114

COC(=O)N[C@@H](Cc1ccccc1-c1ccc(OC)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.56
ACE P12821 1/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
KMT2A Q03164 3/20 0.51
FPR2 P25090 1/20 0.50
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PPARA Q07869 4/20 0.47
PPARG P37231 2/20 0.47
BACE1 P56817 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
PTPN1 P18031 1/20 0.44
GFER P55789 1/20 0.44
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
ITGB1 P05556 1/20 0.43

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
SCHEMBL2778799 1.00 MME (0.56) MMEACECPA1ACE2KMT2A
SCHEMBL2780274 0.92 MME (0.60) MMEACECPA1ACE2KMT2A
SCHEMBL2781125 0.92 MME (0.60) MMEACECPA1ACE2KMT2A
SCHEMBL11148829 0.81 MME (0.57) MMEACECPA1ACE2KMT2A
SCHEMBL2779649 0.81 MME (0.48) MMEACECPA1ACE2KMT2A
SCHEMBL2777728 0.81 ITGB1 (0.50) MMEACECPA1ACE2KMT2A
SCHEMBL6170513 0.80 ACE (0.57) MMEACECPA1ACE2KMT2A
SCHEMBL503474 0.80 ACE (0.57) MMEACECPA1ACE2KMT2A
SCHEMBL22190054 0.79 KMT2A (0.53) KMT2AFFAR1FFAR4PPARAPPARG
SCHEMBL22190053 0.79 KMT2A (0.53) KMT2AFFAR1FFAR4PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258681-B1 Aromatic Derivatives as HIV Aspartyl Protease Inhibitors TAIMED BIOLOG INC (TW) 2012-09-26 EP disclosed
EP-2258680-A2 Aromatic derivatives as HIV aspartyl protease inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
EP-2258681-A2 Aromatic Derivatives as HIV Aspartyl Protease Inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
US-6632816-B1 Aromatic derivatives as HIV aspartyl protease inhibitors PHARMACOR INC. (CA) 2003-10-14 US disclosed