SCHEMBL15218975

SCHEMBL15218975

OC(CNCCCCCCNCC(O)COCCC[Si](O)(O)O)COCCC[Si](O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB2 P07550 3/20 0.32
PKM P14618 1/20 0.32
CASR P41180 1/20 0.32
HTR1A P08908 2/20 0.31
LPAR5 Q9H1C0 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
SCHEMBL29321208 0.97 KDM4E (0.37) KDM4EUSP2HTTALDH1A1KMT2A
SCHEMBL19660807 0.95 KDM4E (0.40) KDM4EUSP2HTTALDH1A1KMT2A
SCHEMBL15218995 0.93 KDM4E (0.41) KDM4EUSP2HTTALDH1A1KMT2A
SCHEMBL15218991 0.92 KDM4E (0.40) KDM4EUSP2HTTALDH1A1KMT2A
SCHEMBL29320454 0.91 KDM4E (0.33) KDM4EUSP2HTTADRB2HTR1A
SCHEMBL29321211 0.90 ADRB2 (0.38) KDM4EUSP2HTTALDH1A1KMT2A
SCHEMBL29320460 0.90 USP2 (0.33) KDM4EUSP2HTTADRB2HTR1A
SCHEMBL23837977 0.89 ADRB2 (0.35) KDM4EADRB2HTR1A
SCHEMBL9927953 0.89 KDM4E (0.38) KDM4EUSP2HTTALDH1A1KMT2A
SCHEMBL24306538 0.88 ADRB2 (0.39) KDM4EUSP2HTTALDH1A1KMT2A

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-9487408-B2 Reducing aluminosilicate scale in the bayer process NALCO COMPANY (US) 2016-11-08 US disclosed
WO-2013126683-A1 REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS NALCO COMPANY (US) 2013-08-29 WO disclosed
US-20120148462-A1 REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS ECOLAB USA INC. 2012-06-14 US disclosed