SCHEMBL5963363

SCHEMBL5963363

O=C1N[C@@H](CC2CCCCC2)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.40
MMP1 P03956 4/20 0.39
MMP9 P14780 3/20 0.39
MMP7 P09237 2/20 0.39
MMP3 P08254 1/20 0.39
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
REN P00797 6/20 0.32
DAO P14920 1/20 0.32
NAAA Q02083 1/20 0.31

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
SCHEMBL9866742 0.74 CTSD (0.60) CTSDMMP1MMP9MMP7MMP3
SCHEMBL9866747 0.74 CTSD (0.60) CTSDMMP1MMP9MMP7MMP3
SCHEMBL9491181 0.73 CTSD (0.49) CTSDMMP1MMP9MMP7MMP3
SCHEMBL21292118 0.68 MMP1 (0.41) MMP1MMP9MMP7MMP3MEN1
SCHEMBL7385411 0.67 CTSD (0.45) CTSDMMP1MMP9MMP7MMP3
SCHEMBL8908550 0.66 KDM6B (0.32) CTSDMMP1MMP9MMP7MMP3
SCHEMBL8908161 0.66 KDM6B (0.32) CTSDMMP1MMP9MMP7MMP3
SCHEMBL4174353 0.66
SCHEMBL8745896 0.65 ITGB1 (0.42) CTSDMMP1MMP9MMP7MMP3
SCHEMBL6786696 0.65 MMP1 (0.42) MMP1MMP9MMP7MMP3MAPT

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-0681568-B1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND BETA-LACTAM INTERMEDIATES THEREFOR UNIV NEW YORK STATE RES FOUND (US) 2006-07-26 EP disclosed
EP-0690856-B1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT UNIV NEW YORK STATE RES FOUND (US) 2002-12-04 EP disclosed
US-6218553-B1 METALLIZATION BY REACTING A BACCATIN III DERIVATIVE WITH A METAL ALKYLDISILAZIDE THE STATE UNIVERSITY OF NEW YORK AT STONY BROOK 2001-04-17 US disclosed
US-6187916-B1 Process for the preparation of taxane derivatives and β-lactam intermediates therefor RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2001-02-13 US disclosed
US-5705508-A FORMING TAXOL DERIVATIVES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-01-06 US disclosed
US-5599820-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-02-04 US disclosed
EP-0681568-A1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND $g(b)-LACTAM INTERMEDIATES THEREFOR THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-11-15 EP disclosed
WO-1994018164-A1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND β-LACTAM INTERMEDIATES THEREFOR THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-08-18 WO disclosed