SCHEMBL29953828

SCHEMBL29953828

OB(O)c1ccc2c(c1)CCOC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.35
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
TTR P02766 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
HTR6 P50406 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
SCHEMBL29951836 0.84 ENPP2 (0.39) ENPP2CA2CA1TTRKDM4E
SCHEMBL12759201 0.78 CA2 (0.43) ENPP2CA2CA1TTRKDM4E
SCHEMBL1083247 0.75 LMNA (0.35) ENPP2CA2CA1KDM4E
SCHEMBL6988847 0.75 DRD2 (0.44) CA2
SCHEMBL29956883 0.74 ALDH1A1 (0.45) ENPP2CA2CA1TTRALDH1A1
SCHEMBL442154 0.74 ALDH1A1 (0.45) ENPP2CA2CA1TTRALDH1A1
SCHEMBL4027923 0.74 ADRA2A (0.42) ENPP2CA2CA1TTRALDH1A1
SCHEMBL8895 0.72 PRKCI (0.51)
SCHEMBL1895322 0.72 PRKCI (0.40) ENPP2CA2CA1
SCHEMBL19835515 0.71 CA1 (0.39) CA2CA1HTR6

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