SCHEMBL22973045

SCHEMBL22973045

O=CCc1ccc(OCc2ccccc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL29380769 0.81 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL416462 0.81 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL30594479 0.81 ALDH1A1 (0.48) MAPTSMN1; SMN2L3MBTL1LMNAHPGD
SCHEMBL872421 0.80 HTR1A (0.61) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5810886 0.78 NPC1 (0.41) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3269301 0.78 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6203294 0.77 MAOB (0.51) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3959610 0.77 MAOB (0.51) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL30594481 0.77 SLC2A1 (0.54) MAPTSMN1; SMN2LMNAHTTMAOA
SCHEMBL5722854 0.77 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1

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
EP-3774777-A2 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed