SCHEMBL7270318

SCHEMBL7270318

O=C1COc2ccc(C(=O)OCc3ccccc3)cc2N1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
ALDH1A1 P00352 7/20 0.57
MAPT P10636 5/20 0.57
LMNA P02545 1/20 0.57
RXFP1 Q9HBX9 1/20 0.55
PKM P14618 1/20 0.55
PARP1 P09874 1/20 0.55
POLB P06746 2/20 0.54
USP2 O75604 1/20 0.54
BLM P54132 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 3/20 0.53

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
SCHEMBL20074155 0.91 ALDH1A1 (0.49) GAACASP3SENP7ALDH1A1MAPT
SCHEMBL2954111 0.83 MAPT (0.62) GAACASP3SENP7ALDH1A1MAPT
SCHEMBL7269722 0.82 PARP1 (0.60) GAAALDH1A1MAPTLMNARXFP1
SCHEMBL4293605 0.81 ALDH1A1 (0.68) GAACASP3SENP7ALDH1A1MAPT
SCHEMBL592296 0.81 ALDH1A1 (0.63) ALDH1A1MAPTPARP1POLBRAB9A
SCHEMBL4288362 0.80 ALDH1A1 (0.65) GAACASP3SENP7ALDH1A1MAPT
SCHEMBL531798 0.79 TSHR (0.74) GAAALDH1A1MAPTLMNAPKM
SCHEMBL19833756 0.79 GAA (0.53) GAACASP3SENP7ALDH1A1MAPT
SCHEMBL4654077 0.78 GAA (0.76) GAACASP3SENP7ALDH1A1MAPT
SCHEMBL6752 0.78 ALDH1A1 (0.63) GAACASP3SENP7ALDH1A1MAPT

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-0411751-A1 Renin inhibitory peptides Beecham Group p.l.c. (GB) 1991-02-06 EP disclosed