SCHEMBL29953851

SCHEMBL29953851

OB(O)c1cccc(COCC2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.44
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
EPHX1 P07099 1/20 0.37
SLC2A1 P11166 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 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
SCHEMBL29951790 0.87 ENPP2 (0.47) ENPP2LPLLIPGEPHX1
SCHEMBL29950677 0.83 LPL (0.37) LPLLIPG
SCHEMBL29954386 0.81 ENPP2 (0.46) ENPP2LPLLIPGEPHX1
SCHEMBL29954310 0.78 SLC2A1 (0.45) ENPP2SLC2A1
SCHEMBL29956069 0.76 HTR2A (0.34)
SCHEMBL29953431 0.76 GPR84 (0.36) GPR84
SCHEMBL29952340 0.76 ENPP2 (0.44) ENPP2LPLLIPGEPHX1CTSL
SCHEMBL28179912 0.76 CTSL (0.46) CTSLCTSBCTSK
SCHEMBL29955450 0.72 HTR2A (0.39) LIPG
SCHEMBL29950900 0.72 ENPP2 (0.46) ENPP2LPLLIPGEPHX1

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