SCHEMBL29952810

SCHEMBL29952810

CNC(=O)CCOc1ccc2ccccc2c1C=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
GAA P10253 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ADRB2 P07550 1/20 0.61
ADRB1 P08588 1/20 0.61
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ERN1 O75460 1/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 2/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 3/20 0.41

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
SCHEMBL2560822 0.87 L3MBTL1 (0.59) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL29956139 0.84 L3MBTL1 (0.66) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL29953113 0.83 L3MBTL1 (0.64) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL2998966 0.79 L3MBTL1 (0.86) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL10458182 0.79 L3MBTL1 (0.71) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL28765646 0.79 L3MBTL1 (0.71) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL3267360 0.78 L3MBTL1 (1.00) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL24682906 0.78 L3MBTL1 (0.65) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL29951763 0.77 L3MBTL1 (0.60) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL15331738 0.76 ALDH1A1 (0.61) GAAMAPTSMN1; SMN2NPC1RAB9A

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