SCHEMBL10001671

SCHEMBL10001671

CNCC(O)COCCOCC(O)CNC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.41
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
USP2 O75604 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL13989307 0.88 HTT (0.50) KDM4EALOX15HSD17B10ADRB2ADRB1
SCHEMBL10001673 0.88 KDM4E (0.44) KDM4EALOX15HSD17B10ADRB2ADRB1
SCHEMBL25602364 0.85 USP2 (0.53) KDM4EALOX15HSD17B10USP2CA12
SCHEMBL13678875 0.85 USP2 (0.53) KDM4EALOX15HSD17B10USP2CA12
SCHEMBL24840347 0.84 KDM4E (0.48) KDM4EALOX15HSD17B10ADRB2ADRB1
SCHEMBL27322291 0.83 USP2 (0.61) KDM4EALOX15HSD17B10USP2HTT
SCHEMBL13882631 0.83
SCHEMBL16089122 0.82
SCHEMBL2891621 0.82
SCHEMBL2891619 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8505743-B2 Surface modification of polyamide reverse osmosis membranes MICHIGAN MOLECULAR INSTITUTE (US) 2013-08-13 US disclosed
US-20120024789-A1 Surface Modification of Polyamide Reverse Osmosis Membranes MICHIGAN MOLECULAR INSTITUTE (US) 2012-02-02 US disclosed