SCHEMBL5963959

SCHEMBL5963959

COc1ccc(N2C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2CC(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GFER P55789 1/20 0.36
RAB9A P51151 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
SOAT1 P35610 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL5964515 0.83 MMP1 (0.39) ALDH1A1RAB9ATSHR
SCHEMBL5964510 0.83 MMP1 (0.39) ALDH1A1RAB9ATSHR
SCHEMBL9374220 0.83 SOAT1 (0.49) HSD11B1LMNANPSR1MAPTALDH1A1
SCHEMBL4179389 0.82 HSD11B1 (0.39) HSD11B1SMN1; SMN2LMNANPSR1MAPT
SCHEMBL4179392 0.82 HSD11B1 (0.39) HSD11B1SMN1; SMN2LMNANPSR1MAPT
SCHEMBL4179397 0.82 HSD11B1 (0.39) HSD11B1SMN1; SMN2LMNANPSR1MAPT
SCHEMBL4185422 0.81 HSD11B1 (0.38) HSD11B1SMN1; SMN2LMNANPSR1MAPT
SCHEMBL4184940 0.81 NPSR1 (0.39) HSD11B1SMN1; SMN2LMNANPSR1MAPT
SCHEMBL4175723 0.79 NPBWR1 (0.37) HSD11B1SMN1; SMN2LMNANPSR1MAPT
SCHEMBL4185591 0.79 HSD11B1 (0.44) HSD11B1SMN1; SMN2LMNAMAPTALDH1A1

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 9 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-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-0690856-A4 UNIV NEW YORK (US) 1996-02-07 EP disclosed
EP-0690856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-01-10 EP disclosed
US-5475011-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-12-12 US disclosed
WO-1994022856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1994-10-13 WO disclosed