SCHEMBL10001680

SCHEMBL10001680

CN(C)CC(O)COCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 3/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HIF1A Q16665 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10001677 0.89 HSD17B10 (0.46) HTTUSP2HSD17B10HIF1ALMNA
SCHEMBL10001679 0.83 HIF1A (0.44) HTTUSP2HSD17B10HIF1ALMNA
SCHEMBL14507015 0.83 HSD17B10 (0.56) HTTUSP2HSD17B10HIF1ALMNA
SCHEMBL7296353 0.81 USP2 (0.55) MEN1KMT2AHTTTHRBMAPT
SCHEMBL5021533 0.80 MEN1 (0.61) MEN1KMT2AHTTTHRBMAPT
SCHEMBL18251584 0.80 MEN1 (0.61) MEN1KMT2AHTTTHRBMAPT
SCHEMBL3542017 0.80 MEN1 (0.61) MEN1KMT2AHTTTHRBMAPT
SCHEMBL347384 0.80 HIF1A (0.47) HTTUSP2HSD17B10HIF1ALMNA
SCHEMBL10001678 0.80 HSD17B10 (0.39) HTTUSP2HSD17B10HIF1ALMNA
SCHEMBL10884401 0.79 HSD17B10 (0.41) HTTUSP2HSD17B10HIF1ALMNA

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