SCHEMBL21835862

SCHEMBL21835862

CCCCNCCC[Si](OC)(OC)OC.CO[Si](CCCN)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TSHR P16473 3/20 0.38
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA6 P23280 3/20 0.38
CA5A P35218 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
CASP2 P42575 2/20 0.38
F13A1 P00488 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 2/20 0.38
THPO P40225 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL6120500 0.92 CA12 (0.44) LMNATSHRCA12CA2CA4
SCHEMBL2062490 0.90 CA12 (0.44) LMNATSHRCA12CA2CA4
SCHEMBL1998994 0.90 LMNA (0.47) LMNATSHRCYP1A2ALDH1A1MEN1
SCHEMBL56471 0.90 LMNA (0.47) LMNATSHRCYP1A2ALDH1A1MEN1
SCHEMBL22344106 0.89 LMNA (0.43) LMNATSHRCYP1A2ALDH1A1MEN1
SCHEMBL13240314 0.88 LMNA (0.46) LMNATSHRCYP1A2ALDH1A1MEN1
SCHEMBL2494932 0.88 CA12 (0.50) LMNATSHRCA12CA2CA4
Hydrochloric Acid SCHEMBL1567031 0.88 LMNA (0.46) LMNATSHRCYP1A2ALDH1A1MEN1
SCHEMBL1411794 0.88 LMNA (0.46) LMNATSHRCYP1A2ALDH1A1MEN1
SCHEMBL28785586 0.87 LMNA (0.47) LMNATSHRCA12CA2CA4

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
EP-3416996-B1 CURABLE COMPOSITION SIKA TECH AG (CH) 2020-04-08 EP disclosed