SCHEMBL29951540

SCHEMBL29951540

OB(O)c1ccc(OCCOC2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
NFE2L2 Q16236 1/20 0.40
ADRB2 P07550 8/20 0.39
ADRB1 P08588 8/20 0.39
ADRB3 P13945 2/20 0.39
HIF1A Q16665 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ENPP2 Q13822 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2561635 0.95 HPGD (0.44) HPGDADRB2ADRB1ADRB3CA1
SCHEMBL29953257 0.85 AOC2 (0.37) HPGDCA1CA2ENPP2CYP1A2
SCHEMBL29957500 0.82 ENPP2 (0.44) HPGDADRB2ADRB1ADRB3ENPP2
SCHEMBL320195 0.80 ADRB2 (0.52) HPGDADRB2ADRB1ADRB3KDM4E
SCHEMBL20869253 0.79 KDM4E (0.59) HPGDADRB2ADRB1KDM4ECYP1A2
SCHEMBL11519998 0.79 NFE2L2 (0.63) HPGDNFE2L2KDM4ECYP1A2CYP2D6
SCHEMBL19455128 0.79 HPGD (0.52) HPGDNFE2L2ADRB2ADRB1KDM4E
SCHEMBL7363974 0.79 MEN1 (0.58) HPGDNFE2L2HIF1ACA1CA2
SCHEMBL8335852 0.78 HPGD (0.51) HPGDADRB2ADRB1ADRB3
SCHEMBL2557986 0.78 ENPP2 (0.45) HPGDADRB2ADRB1ADRB3ENPP2

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