SCHEMBL29953874

SCHEMBL29953874

CCCCCCOCc1cc(B(O)O)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.41
LIPG Q9Y5X9 6/20 0.41
TRPV1 Q8NER1 1/20 0.41
MGLL Q99685 1/20 0.41
ALOX5 P09917 4/20 0.40
SMPD1 P17405 3/20 0.40
PTGS2 P35354 3/20 0.40
ENPP2 Q13822 1/20 0.38

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
SCHEMBL29956396 0.83 ENPP2 (0.37) ENPP2
SCHEMBL29951761 0.80 LIPG (0.42) LPLLIPGTRPV1MGLLALOX5
SCHEMBL29951397 0.78 ENPP2 (0.38) ENPP2
SCHEMBL1024456 0.78 ENPP2 (0.46) ENPP2
SCHEMBL29953260 0.77 SMPD1 (0.43) TRPV1SMPD1
SCHEMBL21396 0.76 ENPP2 (0.44) LPLLIPGENPP2
SCHEMBL29952179 0.76 CHRM2 (0.50) LPLLIPG
SCHEMBL6736805 0.75 LPL (0.49) LPLLIPGTRPV1MGLLSMPD1
SCHEMBL29954064 0.75 LPL (0.62) LPLLIPGTRPV1MGLLPTGS2
SCHEMBL29955765 0.75 GABRA1 (0.40) ALOX5ENPP2

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