SCHEMBL28019014

SCHEMBL28019014

CCO[Si](C)(OCC)OCCNCCCCCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
F13A1 P00488 2/20 0.43
CA2 P00918 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
THPO P40225 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CA1 P00915 1/20 0.43
CA3 P07451 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MTOR P42345 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL28033813 0.98 CA12 (0.45) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL28033334 0.88 ALDH1A1 (0.41) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL28748931 0.81 CA12 (0.48) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL27852450 0.81 DNM1 (0.46) CA12CA2CA4CA6CA5A
SCHEMBL9306230 0.77 CA12 (0.45) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL5433201 0.77 CA12 (0.45) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL2616725 0.77 CA12 (0.45) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL28773044 0.77 ODC1 (0.36) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL27668897 0.75 HTT (0.35) CYP1A2TSHRMEN1CYP2C19KMT2A
SCHEMBL5433507 0.75 CA12 (0.46) CA12F13A1CA2CYP1A2ALOX15

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-104822626-A Degradable silica nanoshells for ultrasonic imaging/therapy UNIV CALIFORNIA 2015-08-05 CN disclosed