SCHEMBL2780950

SCHEMBL2780950

O=C(O)C(Cc1cccc2ccccc12)NC(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 3/20 0.52
HRH4 Q9H3N8 1/20 0.51
MME P08473 2/20 0.50
ACE P12821 2/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
CTSS P25774 2/20 0.49
CTSL P07711 2/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
FAAH O00519 1/20 0.47
CTSB P07858 1/20 0.46
PIN1 Q13526 1/20 0.46
CYP3A4 P08684 1/20 0.46
CALCRL Q16602 1/20 0.46

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
SCHEMBL756847 1.00 KDM4E (0.55) KDM4EALDH1A1TSHRHSD17B10POLB
SCHEMBL10586443 0.90 CTSS (0.51) KDM4EALDH1A1TSHRHSD17B10HRH4
Leucine SCHEMBL1406254 0.89 MMP2 (0.50) KDM4EALDH1A1TSHRHSD17B10POLB
SCHEMBL9631257 0.89 POLB (0.53) KDM4EALDH1A1TSHRHSD17B10POLB
Leucine SCHEMBL3812226 0.87 MMP2 (0.48) KDM4EALDH1A1TSHRHSD17B10MME
SCHEMBL233988 0.87 MMP2 (0.48) KDM4EALDH1A1TSHRHSD17B10HRH4
Leucine SCHEMBL5528909 0.87 MMP2 (0.48) KDM4EALDH1A1TSHRHSD17B10POLB
Leucine SCHEMBL8202526 0.86 MMP2 (0.48) KDM4EALDH1A1TSHRHSD17B10POLB
Leucine SCHEMBL2297615 0.86 MMP2 (0.49) KDM4EALDH1A1TSHRHSD17B10HRH4
SCHEMBL7272341 0.85 SMN1; SMN2 (0.55) KDM4EALDH1A1HRH4MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258680-B1 Aromatic derivatives as HIV aspartyl protease inhibitors TAIMED BIOLOG INC (TW) 2012-09-19 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
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