SCHEMBL28033334

SCHEMBL28033334

CCO[Si](C)(OCC)OCCCCCNCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CA12 O43570 5/20 0.38
CA6 P23280 5/20 0.38
CA7 P43166 5/20 0.38
CA9 Q16790 5/20 0.38
CA14 Q9ULX7 5/20 0.38
CA5B Q9Y2D0 5/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA5A P35218 4/20 0.38
CA3 P07451 3/20 0.38
ALOX15 P16050 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
F13A1 P00488 2/20 0.37
THPO P40225 2/20 0.37
CASP2 P42575 2/20 0.37

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
SCHEMBL28019014 0.88 CA12 (0.43) ALDH1A1CA12CA6CA7CA9
SCHEMBL28748931 0.87 CA12 (0.48) ALDH1A1CA12CA6CA7CA9
SCHEMBL28033813 0.86 CA12 (0.45) ALDH1A1CA12CA6CA7CA9
SCHEMBL156341 0.81 CA12 (0.41) ALDH1A1CA12CA6CA7CA9
SCHEMBL28661373 0.79 CA12 (0.38) ALDH1A1CA12CA6CA7CA9
SCHEMBL28773044 0.78 ODC1 (0.36) ALDH1A1CYP1A2MEN1KMT2ATSHR
SCHEMBL29023908 0.78 ALDH1A1 (0.36) ALDH1A1CA12CA6CA7CA9
SCHEMBL23491302 0.77 ALDH1A1 (0.40) ALDH1A1CA12CA6CA7CA9
Ethylenediamine SCHEMBL28238444 0.76
SCHEMBL23781414 0.74 TSHR (0.48) ALDH1A1CA12CA7CA14CA2

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
CN-103827242-B The organosilane esters priming paint that catalytic amino replaces 3M INNOVATIVE PROPERTIES CO. (US) 2015-12-02 CN disclosed