SCHEMBL29951763

SCHEMBL29951763

CCNC(=O)COc1ccc2ccccc2c1C=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
RAB9A P51151 3/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 3/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.47
MITF O75030 1/20 0.47
HSP90AA1 P07900 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47

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) L3MBTL1GAATDP1RAB9AMAPT
SCHEMBL2560912 0.81 L3MBTL1 (0.67) L3MBTL1GAATDP1RAB9AMAPT
SCHEMBL30066993 0.81 MAPT (0.69) L3MBTL1GAATDP1RAB9AMAPT
SCHEMBL2560084 0.80 MAPT (0.61) L3MBTL1GAATDP1RAB9AMAPT
SCHEMBL29844427 0.79 L3MBTL1 (0.75) L3MBTL1GAATDP1RAB9AMAPT
SCHEMBL1253291 0.79 L3MBTL1 (0.75) L3MBTL1GAATDP1RAB9AMAPT
SCHEMBL29952810 0.77 L3MBTL1 (0.64) L3MBTL1GAATDP1RAB9AMAPT
SCHEMBL2998966 0.76 L3MBTL1 (0.86) L3MBTL1GAATDP1RAB9AMAPT
SCHEMBL2561844 0.76 TSHR (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL4392247 0.76 MAPT (0.68) L3MBTL1GAATDP1RAB9AMAPT

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