SCHEMBL9606985

SCHEMBL9606985

CCO[Si](CCCNCC(O)COCCCCOCC(O)CNCCC[Si](C)(C)C)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.34
CASR P41180 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
LPAR5 Q9H1C0 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL9606976 0.97 KDM4E (0.38) KDM4EUSP2HTTCASRALDH1A1
SCHEMBL16280900 0.95 KDM4E (0.42) KDM4EUSP2HTTCASRALDH1A1
SCHEMBL18623801 0.94 KDM4E (0.37) KDM4EUSP2HTTCASRALDH1A1
SCHEMBL16280855 0.87 KDM4E (0.38) KDM4EUSP2HTTCASRALDH1A1
SCHEMBL14865789 0.86 KDM4E (0.36) KDM4EUSP2CASRALDH1A1SMN1; SMN2
Propene SCHEMBL28263032 0.85 USP2 (0.40) KDM4EUSP2HTTCASRCYP1A2
SCHEMBL18635974 0.83 KDM4E (0.37) KDM4EUSP2HTTCASRALDH1A1
SCHEMBL19697514 0.80 KDM4E (0.36) KDM4EUSP2HTTCASRALDH1A1
SCHEMBL18324099 0.78 KDM4E (0.35) KDM4ECASR
SCHEMBL62207 0.77 KDM4E (0.41) KDM4EUSP2HTTCASRALDH1A1

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 5 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-9512287-B2 Modified hybrid silica aerogels ASPEN AEROGELS, INC. (US) 2016-12-06 US disclosed
US-20150065590-A1 MODIFIED HYBRID SILICA AEROGELS MIDCAP FUNDING IV TRUST 2015-03-05 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