SCHEMBL8169147

SCHEMBL8169147

CC=C[C@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1c1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
GFER P55789 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
KAT2B Q92831 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL4185422 0.89 HSD11B1 (0.38) HSD11B1SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL4175723 0.86 NPBWR1 (0.37) HSD11B1SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL4175719 0.86 NPBWR1 (0.37) HSD11B1SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL29531652 0.84 SMN1; SMN2 (0.40) HSD11B1SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL2211524 0.83 SMN1; SMN2 (0.37) HSD11B1SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL7723030 0.82 ALDH1A1 (0.41) SMN1; SMN2LMNANPSR1ALDH1A1MAPT
SCHEMBL4179392 0.80 HSD11B1 (0.39) HSD11B1SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL4179397 0.80 HSD11B1 (0.39) HSD11B1SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL4179389 0.80 HSD11B1 (0.39) HSD11B1SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL4184940 0.79 NPSR1 (0.39) HSD11B1SMN1; SMN2LMNANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096909-A Taxoid anti-tumor agents and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-08-01 US disclosed