SCHEMBL301831

SCHEMBL301831

CC[Si](O)(CC)CCCOCC(O)CN1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
USP2 O75604 2/20 0.47
ALOX15 P16050 1/20 0.47
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 2/20 0.38
HTT P42858 2/20 0.37
RAD52 P43351 1/20 0.37
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL301621 0.91 KDM4E (0.49) ALDH1A1KDM4EUSP2ALOX15GLA
SCHEMBL301476 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2ALOX15GLA
SCHEMBL301759 0.87 KDM4E (0.49) ALDH1A1KDM4EUSP2ALOX15GLA
SCHEMBL301438 0.86 KDM4E (0.48) ALDH1A1KDM4EUSP2ALOX15GLA
SCHEMBL301624 0.86 KDM4E (0.48) ALDH1A1KDM4EUSP2ALOX15GLA
SCHEMBL301640 0.85 KDM4E (0.49) ALDH1A1KDM4EUSP2ALOX15GLA
SCHEMBL301622 0.84 KDM4E (0.46) ALDH1A1KDM4EUSP2ALOX15GLA
SCHEMBL302583 0.84 KDM4E (0.46) ALDH1A1KDM4EUSP2ALOX15GLA
SCHEMBL13705970 0.83 KDM4E (0.48) ALDH1A1KDM4EUSP2ALOX15GLA
SCHEMBL10005231 0.83 KDM4E (0.64) ALDH1A1KDM4EUSP2ALOX15GLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404924-B1 Aqueous solution of piperazinyl-containing silanol compound and making method SHINETSU CHEMICAL CO (JP) 2013-03-20 EP disclosed
US-20120006229-A1 AQUEOUS SOLUTION OF PIPERAZINYL-CONTAINING SILANOL COMPOUND AND MAKING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-12 US disclosed
EP-2404924-A1 Aqueous solution of piperazinyl-containing silanol compound and making method Shin-Etsu Chemical Co., Ltd. (JP) 2012-01-11 EP disclosed