SCHEMBL13699783

SCHEMBL13699783

CCn1cc(C=O)c2cc(C)ccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ALDH1A1 P00352 5/20 0.46
POLB P06746 3/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 1/20 0.41
ABCC2 Q92887 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL10655501 0.87 GAA (0.42) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL10193355 0.87 ALDH1A1 (0.46) GAAALDH1A1POLBKDM4EMEN1
SCHEMBL1093920 0.84 ALDH1A1 (0.65) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL22450720 0.84 PTGER4 (0.52) GAAALDH1A1POLBKDM4EMEN1
SCHEMBL29165493 0.84 MAPT (0.47) GAAALDH1A1POLBKDM4EMEN1
SCHEMBL22122327 0.84 GAA (0.52) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL16619808 0.81 GAA (0.50) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL1785990 0.81 BCHE (0.57) ALDH1A1POLBKDM4E
SCHEMBL6640766 0.80 POLB (0.49) ALDH1A1POLBKDM4EMAPTABCC2
SCHEMBL6640689 0.80 POLB (0.46) ALDH1A1POLBKDM4EMAPTABCC2

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-2105164-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2009-09-30 EP disclosed