SCHEMBL29953735

SCHEMBL29953735

OB(O)c1ccc(COC2CCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.42
LIPG Q9Y5X9 6/20 0.42
F11 P03951 1/20 0.41
ENPP2 Q13822 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR4 Q13639 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MGLL Q99685 1/20 0.36
DPP4 P27487 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL10269521 0.95 LPL (0.41) LPLLIPGF11ENPP2CA1
SCHEMBL29951908 0.85 LPL (0.39) LPLLIPGF11ENPP2CA1
SCHEMBL29953866 0.80 ENPP2 (0.50) LPLLIPGENPP2SLC6A2HTR2A
SCHEMBL29958158 0.79 LPL (0.37) LPLLIPGF11ENPP2CA1
SCHEMBL4962479 0.78 CARM1 (0.48) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL14503420 0.78 CARM1 (0.45) SLC6A2SLC6A4SLC6A3CARM1PRMT6
SCHEMBL1836026 0.77 IDO1 (0.45) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL29952628 0.76 ENPP2 (0.49) LPLLIPGENPP2SLC6A2HTR2A
SCHEMBL1837908 0.76 NPC1 (0.46) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL1837027 0.76 NPC1 (0.46) SLC6A2HTR2AHTR2CSLC6A4HTR7

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