SCHEMBL5433201

SCHEMBL5433201

CCO[Si](C)(CCCNCCCCCN)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
F13A1 P00488 2/20 0.45
CA2 P00918 2/20 0.45
CYP1A2 P05177 2/20 0.45
ALOX15 P16050 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
THPO P40225 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CA1 P00915 1/20 0.45
CA3 P07451 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
MTOR P42345 1/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL2616725 1.00 CA12 (0.45) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL11656926 0.98 CA12 (0.46) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL9306230 0.96 CA12 (0.45) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL10779614 0.93 CA12 (0.44) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL37492 0.91 CA12 (0.42) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL25227614 0.89 CA12 (0.41) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL394426 0.89 CA12 (0.42) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL30325785 0.89 ALDH1A1 (0.37) CYP1A2TSHRMEN1CYP2C19KMT2A
SCHEMBL30325685 0.89 ALDH1A1 (0.37) CYP1A2TSHRMEN1CYP2C19KMT2A
SCHEMBL444998 0.87 CYP2C19 (0.36) CYP1A2TSHRMEN1CYP2C19KMT2A

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-20070015893-A1 Curable composition and its use MITSUI CHEMICALS, INC. 2007-01-18 US disclosed