SCHEMBL29951908

SCHEMBL29951908

OB(O)c1ccc(COC2CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.39
LIPG Q9Y5X9 6/20 0.39
F11 P03951 1/20 0.38
DCPS Q96C86 1/20 0.36
ENPP2 Q13822 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR4 Q13639 1/20 0.34
ELANE P08246 1/20 0.34
CARM1 Q86X55 3/20 0.33
PRMT6 Q96LA8 3/20 0.33
DPP4 P27487 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
SCHEMBL29958158 0.91 LPL (0.37) LPLLIPGF11ENPP2CA1
SCHEMBL29953735 0.85 LPL (0.42) LPLLIPGF11ENPP2CA1
SCHEMBL10269521 0.83 LPL (0.41) LPLLIPGF11ENPP2CA1
SCHEMBL29954386 0.82 ENPP2 (0.46) LPLLIPGDCPSENPP2SLC6A2
SCHEMBL29950677 0.78 LPL (0.37) LPLLIPGF11
SCHEMBL7606582 0.78 NAAA (0.48) DCPSCARM1PRMT6OPRM1OPRL1
SCHEMBL6436291 0.78 CARM1 (0.51) DCPSSLC6A2HTR2AHTR2CSLC6A4
SCHEMBL506981 0.78 DCPS (0.45) DCPSSLC6A2HTR2AHTR2CSLC6A4
SCHEMBL31248144 0.78 OPRM1 (0.51) DCPSSLC6A2HTR2AHTR2CSLC6A4
SCHEMBL29953257 0.77 AOC2 (0.37) ENPP2CA1CA2HTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed