SCHEMBL7460811

SCHEMBL7460811

CCOC(=O)C1CCC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 1/20 0.54
LMNA P02545 1/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL20488351 0.87 KMT2A (0.55) ALDH1A1LMNAKMT2A
SCHEMBL31581789 0.84 ALDH1A1 (0.54) ALDH1A1HPGDTSHRMAPK1L3MBTL1
SCHEMBL7464776 0.83 SMN1; SMN2 (0.56) ALDH1A1HPGDTSHRL3MBTL1LMNA
SCHEMBL8535575 0.78 KMT2A (0.55) ALDH1A1KMT2A
SCHEMBL14022760 0.78 L3MBTL1 (0.74) ALDH1A1L3MBTL1ATMTDP1
SCHEMBL5166634 0.78 KMT2A (0.55) ALDH1A1KMT2A
SCHEMBL8263564 0.78 L3MBTL1 (0.74) ALDH1A1L3MBTL1ATMTDP1
SCHEMBL1545229 0.78 L3MBTL1 (0.74) ALDH1A1L3MBTL1ATMTDP1
SCHEMBL8399946 0.78 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1LMNA
SCHEMBL1872029 0.77 L3MBTL1 (0.65) ALDH1A1L3MBTL1ATMTDP1

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-1180513-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-20 EP disclosed