SCHEMBL17133248

SCHEMBL17133248

CCO[Si](C)(CCCNC(=O)NCCC[Si](OCC)(OCC)OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.41
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PRMT1 Q99873 1/20 0.32
EPHX2 P34913 2/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2566017 0.93 EPHX1 (0.47) EPHX1TSHRCA12CA1CA2
SCHEMBL2561394 0.91 EPHX1 (0.48) EPHX1TSHRCA12CA1CA2
SCHEMBL17133262 0.91 EPHX1 (0.33) EPHX1
SCHEMBL4419366 0.89 EPHX1 (0.47) EPHX1TSHRCA12CA1CA2
SCHEMBL17133238 0.88 EPHX1 (0.55) EPHX1EPHX2ATM
SCHEMBL12794861 0.88 EPHX1 (0.42) EPHX1TSHRCA12CA1CA2
SCHEMBL4362272 0.87 EPHX1 (0.55) EPHX1CA12CA1CA2CA9
SCHEMBL4355762 0.86 EPHX1 (0.57) EPHX1EPHX2
SCHEMBL21360055 0.86 EPHX1 (0.44) EPHX1TSHRCA12CA1CA2
SCHEMBL28435450 0.86 EPHX1 (0.55) EPHX1EPHX2MEN1KMT2A

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
WO-2015144384-A1 SILANE CONTAINING RESPECTIVELY AT LEAST TWO ALKOXY GROUPS AND A GUANIDONO OR CARBAMIDE GROUP EVONIK DEGUSSA GMBH (DE) 2015-10-01 WO disclosed