SCHEMBL14496261

SCHEMBL14496261

CCN(CC(=O)O)Cc1cccc(CN(CC)CC(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
AGTR1 P30556 1/20 0.39
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL14496263 0.92 ALOX15 (0.40) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL377313 0.91 NPSR1 (0.41) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL15483848 0.90 TDP1 (0.46) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL8765490 0.82 TDP1 (0.38) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL15483569 0.82 SMN1; SMN2 (0.37) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL11938344 0.82 SMN1; SMN2 (0.54) TDP1MAPTKDM4EKMT2A
SCHEMBL522437 0.81 GRIN2D (0.44) TDP1TSHRNPSR1GRIN2DGRIN3B
SCHEMBL6161950 0.81 TDP1 (0.37) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL23568184 0.80 KDM4E (0.50) TDP1ALOX15TSHRKDM4ELMNA
SCHEMBL15483873 0.79 PPARG (0.48) TDP1ALOX15TSHRCYP2C19HIF1A

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
US-7229842-B2 Metal chelate containing compositions for use in chemiluminescent assays DADE BEHRING MARBURG GMBH (DE) 2007-06-12 US disclosed
US-7229842-B2 Metal chelate containing compositions for use in chemiluminescent assays DADE BEHRING MARBURG GMBH (DE) 2007-06-12 US disclosed