SCHEMBL7723030

SCHEMBL7723030

COc1ccc(N2C(=O)C(O[Si](C(C)C)(C(C)C)C(C)C)C2C=Cc2ccco2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.41
MAPT P10636 9/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
HTT P42858 4/20 0.41
POLB P06746 12/20 0.40
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
BLM P54132 4/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
GRK2 P25098 1/20 0.40
HPGD P15428 2/20 0.39
PKM P14618 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 3/20 0.35
LMNA P02545 4/20 0.35
TDP1 Q9NUW8 4/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL8169147 0.82 HSD11B1 (0.36) ALDH1A1MAPTKMT2ALMNARAB9A
SCHEMBL4185422 0.80 HSD11B1 (0.38) ALDH1A1MAPTKMT2ALMNARAB9A
SCHEMBL4175723 0.78 NPBWR1 (0.37) ALDH1A1MAPTKMT2ALMNARAB9A
SCHEMBL4175719 0.78 NPBWR1 (0.37) ALDH1A1MAPTKMT2ALMNARAB9A
SCHEMBL7723195 0.78 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1POLBMEN1
SCHEMBL29531652 0.76 SMN1; SMN2 (0.40) ALDH1A1MAPTL3MBTL1HTTLMNA
SCHEMBL2211524 0.76 SMN1; SMN2 (0.37) ALDH1A1MAPTL3MBTL1HTTKMT2A
SCHEMBL5963959 0.72 HSD11B1 (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4179397 0.72 HSD11B1 (0.39) ALDH1A1MAPTPOLBKMT2ALMNA
SCHEMBL4179392 0.72 HSD11B1 (0.39) ALDH1A1MAPTPOLBKMT2ALMNA

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 4 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
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