SCHEMBL9606981

SCHEMBL9606981

CCO[Si](CCCNCC(O)COCCCOc1ccc(C(C)(C)c2ccc(OCCCOCC(O)CNCCC[Si](OCC)(OCC)OCC)cc2)cc1)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 7/20 0.43
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CASR P41180 2/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL16545816 0.86 CASR (0.51) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL3976660 0.82 ADRB2 (0.44) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL16280900 0.81 KDM4E (0.42) KMT2AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL17617030 0.78 ALDH1A1 (0.53) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL17831499 0.78 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL9606976 0.77 KDM4E (0.38) KMT2AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL16280855 0.77 KDM4E (0.38) KMT2AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL9606985 0.77 KDM4E (0.38) KMT2AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL13415765 0.75 LTA4H (0.49) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL20226244 0.75 SMN1; SMN2 (0.44) MEN1KMT2AKDM4EALDH1A1HTT

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
US-20170074449-A1 MODIFIED HYBRID SILICA AEROGELS MIDCAP FUNDING IV TRUST 2017-03-16 US disclosed
US-8906973-B2 Modified hybrid silica aerogels ASPEN AEROGELS, INC. (US) 2014-12-09 US disclosed
US-20120136079-A1 MODIFIED HYBRID SILICA AEROGELS ASPEN AEROGELS, INC. (US) 2012-05-31 US disclosed