SCHEMBL2779649

SCHEMBL2779649

COC(=O)N[C@@H](Cc1ccccc1-c1cccc(F)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
KMT2A Q03164 1/20 0.46
GPR34 Q9UPC5 2/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
CHRM3 P20309 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR7 P34969 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL2780274 0.87 MME (0.60) MMEACECPA1ACE2KMT2A
SCHEMBL2781125 0.87 MME (0.60) MMEACECPA1ACE2KMT2A
SCHEMBL2781114 0.81 MME (0.56) MMEACECPA1ACE2KMT2A
SCHEMBL2778799 0.81 MME (0.56) MMEACECPA1ACE2KMT2A
SCHEMBL3006752 0.79 CTSS (0.55) MMEACECPA1ACE2KMT2A
SCHEMBL2780885 0.76 MME (0.60) MMEACECPA1ACE2KMT2A
SCHEMBL25258099 0.75 ITGB2 (0.43) MMEACECPA1ACE2KMT2A
SCHEMBL6170513 0.75 ACE (0.57) MMEACECPA1ACE2KMT2A
SCHEMBL25295022 0.75 ITGB2 (0.43) MMEACECPA1ACE2KMT2A
SCHEMBL503474 0.75 ACE (0.57) MMEACECPA1ACE2KMT2A

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 8 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
WO-2010088608-A2 SYSTEMS AND METHODS FOR BLOCK-LEVEL MANAGEMENT OF TIERED STORAGE ATRATO, INC. (US) 2010-08-05 WO disclosed
US-20100199036-A1 SYSTEMS AND METHODS FOR BLOCK-LEVEL MANAGEMENT OF TIERED STORAGE ATRATO, INC. (US) 2010-08-05 US disclosed
EP-1575914-A1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Procyon Biopharma Inc. (CA) 2005-09-21 EP disclosed
WO-2004056764-A1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2004-07-08 WO disclosed
US-6632816-B1 Aromatic derivatives as HIV aspartyl protease inhibitors PHARMACOR INC. (CA) 2003-10-14 US disclosed