SCHEMBL18766905

SCHEMBL18766905

COc1cccc(CC(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ SIGMAR1 Q99720 3/20 0.53
▸ MEN1 O00255 2/20 0.49
▸ TGFBR1 P36897 2/20 0.49
▸ MAPT P10636 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ DRD2 P14416 2/20 0.46
▸ ACACB O00763 1/20 0.45
▸ OPRK1 P41145 1/20 0.44
▸ CKS1B P61024 1/20 0.44
▸ SKP1 P63208 1/20 0.44
▸ SKP2 Q13309 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44

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
SCHEMBL18766917 0.87 KMT2A (0.55) KMT2ASIGMAR1KDM4EPKMDRD2
SCHEMBL29725632 0.86 MEN1 (0.57) KMT2ASIGMAR1MEN1MAPTKDM4E
SCHEMBL18768210 0.84 ACACB (0.47) KMT2AMEN1TGFBR1MAPTKDM4E
SCHEMBL18766901 0.82 MAPT (0.46) KMT2AMEN1TGFBR1MAPTKDM4E
SCHEMBL16002968 0.77 SIGMAR1 (0.62) KMT2ASIGMAR1MEN1MAPTKDM4E
SCHEMBL18768635 0.77 KMT2A (0.51) KMT2ASIGMAR1MEN1MAPTKDM4E
SCHEMBL13826659 0.76 SIGMAR1 (0.60) KMT2ASIGMAR1MEN1MAPTKDM4E
SCHEMBL16825188 0.76 TGFBR1 (0.56) KMT2AMEN1TGFBR1KDM4EPKM
SCHEMBL1295318 0.75 ALDH1A1 (0.47) KMT2AMEN1KDM4EPOLBCACNA1B
SCHEMBL29725623 0.75 ACHE (0.61) KMT2ASIGMAR1MEN1DRD2

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
WO-2017066705-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 — — WO disclosed
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