SCHEMBL16280900

SCHEMBL16280900

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASR P41180 2/20 0.34
LPAR5 Q9H1C0 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9606985 0.95 KDM4E (0.38) KDM4EUSP2HTTALDH1A1CYP1A2
SCHEMBL16280855 0.92 KDM4E (0.38) KDM4EUSP2HTTALDH1A1SMN1; SMN2
SCHEMBL9606976 0.92 KDM4E (0.38) KDM4EUSP2HTTALDH1A1SMN1; SMN2
Propene SCHEMBL28263032 0.90 USP2 (0.40) KDM4EUSP2HTTCYP1A2CYP3A4
SCHEMBL14865789 0.88 KDM4E (0.36) KDM4EUSP2ALDH1A1SMN1; SMN2CASR
SCHEMBL18635974 0.88 KDM4E (0.37) KDM4EUSP2HTTALDH1A1SMN1; SMN2
SCHEMBL18623801 0.88 KDM4E (0.37) KDM4EUSP2HTTALDH1A1SMN1; SMN2
SCHEMBL19697514 0.84 KDM4E (0.36) KDM4EUSP2HTTALDH1A1CYP3A4
SCHEMBL18324099 0.82 KDM4E (0.35) KDM4ECASR
SCHEMBL62207 0.82 KDM4E (0.41) KDM4EUSP2HTTALDH1A1CASR

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-10295108-B2 Modified hybrid silica aerogels ASPEN AEROGELS, INC. (US) 2019-05-21 US disclosed
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