SCHEMBL11090641

SCHEMBL11090641

CCOC(CC(=O)O)C(=O)Nc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ALDH1A1 P00352 4/20 0.53
HPGD P15428 1/20 0.53
PARP1 P09874 1/20 0.53
PARP10 Q53GL7 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
GRIK1 P39086 1/20 0.43
HDAC4 P56524 1/20 0.43
MEF2D Q14814 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL11089459 0.85 KLK7 (0.52) GAAALDH1A1PARP1PARP10MAPT
SCHEMBL11077468 0.85 PARP1 (0.53) ALDH1A1HPGDPARP1PARP10MAPT
SCHEMBL11080133 0.85 PARP1 (0.53) GAAALDH1A1HPGDPARP1PARP10
SCHEMBL11079368 0.77 GAA (0.52) GAAALDH1A1HPGDPARP1PARP10
SCHEMBL11077425 0.76 ALDH1A1 (0.44) GAAALDH1A1PARP1PARP10SMN1; SMN2
SCHEMBL11088870 0.76 NLRP3 (0.47) GAAALDH1A1PARP1PARP10MAPT
SCHEMBL11083290 0.75 PARP1 (0.51) ALDH1A1HPGDPARP1PARP10MAPT
SCHEMBL29479179 0.75 ALDH1A1 (0.57) GAAALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL27096271 0.75 ALDH1A1 (0.57) GAAALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL29006056 0.73 KLK7 (0.52) GAAALDH1A1HPGDSMN1; SMN2MAPT

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-4460782-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1984-07-17 US disclosed