SCHEMBL4724873

SCHEMBL4724873

O=C(O)CC(=O)c1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.73
MAPT P10636 5/20 0.73
GAA P10253 2/20 0.64
PKM P14618 2/20 0.62
RXFP1 Q9HBX9 2/20 0.59
SMYD3 Q9H7B4 1/20 0.58
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
POLB P06746 1/20 0.56
PARP1 P09874 1/20 0.55

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
SCHEMBL7341640 0.88 ALDH1A1 (0.71) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4295545 0.88 ALDH1A1 (0.71) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4293880 0.85 ALDH1A1 (0.68) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL10652999 0.84 MAPT (0.78) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4264178 0.84 ALDH1A1 (0.75) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4291442 0.84 ALDH1A1 (0.75) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL532500 0.84 ALDH1A1 (1.00) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL29550875 0.84 ALDH1A1 (1.00) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4294026 0.84 ALDH1A1 (0.67) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL532793 0.84 GAA (0.71) ALDH1A1MAPTGAAPKMRXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed