SCHEMBL5387982

SCHEMBL5387982

CCCN(C)CCC.CO[Si](C)(OC)OC

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL129815 0.76
SCHEMBL24659887 0.75 SIGMAR1 (0.34) SIGMAR1
Water SCHEMBL27802509 0.73
Hydrochloric Acid SCHEMBL22771623 0.73
SCHEMBL27554512 0.73
Ammonia Solution, Strong SCHEMBL9405419 0.73
SCHEMBL5715864 0.73 CA12 (0.53) SIGMAR1HTR1DHTR1BCA12CA2
SCHEMBL29580954 0.73 CA12 (0.53) SIGMAR1HTR1DHTR1BCA12CA2
SCHEMBL29580952 0.73 CA12 (0.53) SIGMAR1HTR1DHTR1BCA12CA2
SCHEMBL4266059 0.72 SIGMAR1 (0.33) SIGMAR1HTR1DHTR1BCA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276615-B2 Organofunctional surface-modified metal oxides WACKER CHEMIE AG (DE) 2007-10-02 US disclosed
US-20040220419-A1 Organofunctional surface-modified metal oxides WACKER-CHEMIE GMBH (DE) 2004-11-04 US disclosed