SCHEMBL29956069

SCHEMBL29956069

OB(O)c1ccc(COCC2CCOCC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
RORC P51449 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
MAOB P27338 1/20 0.32
MAPK1 P28482 1/20 0.32
P2RX4 Q99571 3/20 0.32
SCN9A Q15858 1/20 0.32
AOC2 O75106 1/20 0.31
GRM4 Q14833 2/20 0.31
CXCR2 P25025 1/20 0.30

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
SCHEMBL29954322 0.87 PARP10 (0.37) HTR2AHTR2CFFAR4HDAC3HDAC1
SCHEMBL29957668 0.80 MAPK1 (0.40) HTR2AHTR2CHTR2BHDAC3HDAC1
SCHEMBL29950677 0.78 LPL (0.37)
SCHEMBL29953851 0.76 ENPP2 (0.44)
SCHEMBL29953431 0.74 GPR84 (0.36)
SCHEMBL29956088 0.74 PARP14 (0.38)
SCHEMBL29955450 0.73 HTR2A (0.39) HTR2AHTR2CHTR2BMAOB
SCHEMBL29953633 0.71 NAAA (0.38) SCN9A
SCHEMBL29957139 0.70 SCN9A (0.40) SCN9A
SCHEMBL29953017 0.70 TSHR (0.46) MAPK1

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