SCHEMBL13299698

SCHEMBL13299698

CC(C)(C)c1ccccc1OC1CN(C(=O)CN)C1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 12/20 0.75
CHRM3 P20309 1/20 0.40
TTR P02766 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3113543 0.88 RBP4 (0.77) RBP4CHRM3TTRALDH1A1KDM4E
SCHEMBL3105846 0.86 RBP4 (1.00) RBP4ALDH1A1KDM4EGAA
SCHEMBL3110525 0.86 RBP4 (0.73) RBP4TTRALDH1A1KDM4EGAA
SCHEMBL18404251 0.86 RBP4 (0.80) RBP4TTRALDH1A1KDM4EGAA
SCHEMBL3104804 0.85 RBP4 (1.00) RBP4TTRALDH1A1KDM4EGAA
SCHEMBL3111960 0.84 RBP4 (0.70) RBP4TTRALDH1A1KDM4EGAA
SCHEMBL3105695 0.83 RBP4 (0.74) RBP4TTRALDH1A1KDM4EGAA
SCHEMBL18404238 0.83 RBP4 (0.78) RBP4TTRALDH1A1KDM4EGAA
SCHEMBL3094577 0.83 RBP4 (0.78) RBP4ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL18404500 0.83 RBP4 (0.74) RBP4TTRALDH1A1KDM4EGAA

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-2202223-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed