SCHEMBL29954322

SCHEMBL29954322

OB(O)c1ccc(COCC2CCCCC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.37
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PARP15 Q460N3 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CXCR3 P49682 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
KAT6A Q92794 1/20 0.31

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
SCHEMBL29956069 0.87 HTR2A (0.34) HTR2AHTR2CHDAC3HDAC1HDAC2
SCHEMBL29957139 0.81 SCN9A (0.40)
SCHEMBL29951134 0.78 HTR2C (0.36) HTR2AHTR2CSLC6A4
SCHEMBL12663128 0.77 LPL (0.39)
SCHEMBL29953633 0.76 NAAA (0.38)
SCHEMBL29951790 0.76 ENPP2 (0.47)
SCHEMBL29957227 0.73 PARP10 (0.37) PARP10
SCHEMBL29956900 0.71 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL29953017 0.71 TSHR (0.46)
SCHEMBL7020409 0.71 ENPP2 (0.38)

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