SCHEMBL4311269

SCHEMBL4311269

N[C@@H](Cc1ccccc1)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.56
CTSS P25774 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NAMPT P43490 1/20 0.50
CTSL P07711 2/20 0.49
FKBP1A P62942 1/20 0.48
CTSB P07858 1/20 0.47
HDAC8 Q9BY41 2/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
TACR2 P21452 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 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
SCHEMBL7404833 1.00 MMP8 (0.56) MMP8CTSSCYP2C9CYP2C19NAMPT
SCHEMBL7692756 0.88 NAMPT (0.53) NAMPTHDAC8ALPIPKMPTGS1
SCHEMBL7698022 0.86 GAA (0.52) NAMPTHDAC8ALPIPKMPTGS1
SCHEMBL8892973 0.83 CTSS (0.52) MMP8CTSSCTSLCTSBTACR2
SCHEMBL7412711 0.82 NAMPT (0.48) CYP2C9CYP2C19NAMPTHDAC8ALPI
SCHEMBL6052947 0.82 HDAC8 (0.64) MMP8FKBP1AHDAC8ALPIPKM
SCHEMBL6163356 0.82 HDAC8 (0.64) MMP8FKBP1AHDAC8ALPIPKM
SCHEMBL8894828 0.81 CTSL (0.48) CTSSCTSLCTSBTACR2MEN1
Hydrochloric Acid SCHEMBL8307855 0.81 HDAC8 (0.65) MMP8FKBP1AHDAC8ALPIPKM
Hydrochloric Acid SCHEMBL6350961 0.81 HDAC8 (0.65) MMP8FKBP1AHDAC8ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046298-A1 PHARMACEUTICALLY ACCEPTABLE SOLUBILIZING COMPOSITION AND PHARMACEUTICAL DOSAGE FORM CONTAINING SAME Abbott GmbH & Co. KG (DE) 2009-04-15 EP claimed
WO-2008009689-A1 PHARMACEUTICALLY ACCEPTABLE SOLUBILIZING COMPOSITION AND PHARMACEUTICAL DOSAGE FORM CONTAINING SAME ABBOTT GMBH & CO. KG (DE) 2008-01-24 WO claimed
EP-0882024-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-12-09 EP claimed
EP-0876353-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-11-11 EP claimed
US-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US claimed
WO-1997021685-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 WO claimed
WO-1997021683-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 WO claimed
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed