SCHEMBL7735969

SCHEMBL7735969

COc1ccc(N2C(=O)C(O[Si](C(C)C)(C(C)C)C(C)C)C2c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
HSD11B1 P28845 2/20 0.52
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
HTR7 P34969 1/20 0.47
KMT2A Q03164 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.45
SOAT1 P35610 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8306745 0.88 GFER (0.47) NPSR1HSD11B1ALDH1A1GFERSMN1; SMN2
SCHEMBL6968887 0.88 GFER (0.47) NPSR1HSD11B1ALDH1A1GFERSMN1; SMN2
SCHEMBL7731091 0.88 NPSR1 (0.45) NPSR1HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL4177483 0.80 HSD11B1 (0.45) NPSR1HSD11B1ALDH1A1MAPTKMT2A
SCHEMBL4177495 0.80 HSD11B1 (0.45) NPSR1HSD11B1ALDH1A1MAPTKMT2A
SCHEMBL4177490 0.80 HSD11B1 (0.45) NPSR1HSD11B1ALDH1A1MAPTKMT2A
SCHEMBL4671613 0.79 NPSR1 (0.41) NPSR1HSD11B1KDM4EALDH1A1MAPT
SCHEMBL6721749 0.79 NPSR1 (0.41) NPSR1HSD11B1KDM4EALDH1A1MAPT
SCHEMBL4184940 0.79 NPSR1 (0.39) NPSR1HSD11B1KDM4EALDH1A1MAPT
SCHEMBL4179397 0.78 HSD11B1 (0.39) NPSR1HSD11B1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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