SCHEMBL29957500

SCHEMBL29957500

OB(O)c1cccc(OCCOC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.44
HPGD P15428 3/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
ADRB2 P07550 6/20 0.38
ADRB1 P08588 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB3 P13945 1/20 0.36
IGF1R P08069 1/20 0.36
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL2557986 0.96 ENPP2 (0.45) ENPP2HPGDKDM4EALDH1A1TDP1
SCHEMBL29957593 0.86 ENPP2 (0.42) ENPP2KDM4EALDH1A1
SCHEMBL29951540 0.82 HPGD (0.49) ENPP2HPGDKDM4EADRB2ADRB1
SCHEMBL3292159 0.82 NFE2L2 (0.50) ENPP2HPGDALDH1A1
SCHEMBL29956831 0.79 ENPP2 (0.51) ENPP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL29953763 0.78 ENPP2 (0.42) ENPP2HPGDKDM4EALDH1A1TDP1
SCHEMBL29951755 0.78 TLR4 (0.49) ENPP2
SCHEMBL11171915 0.78 TSHR (0.49) HPGDALDH1A1LNPEPIGF1R
SCHEMBL2561635 0.78 HPGD (0.44) ENPP2HPGDADRB2ADRB1ADRB3
SCHEMBL29957208 0.77 ENPP2 (0.53) ENPP2KDM4EALDH1A1MEN1KMT2A

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