SCHEMBL8537608

SCHEMBL8537608

CC1CN(C(=O)O)CCN(C(=O)O)CCN(CC(O)CCCCCCCCCOc2ccc(OCc3ccccc3)cc2)CCN1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 4/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY1R P25929 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
HSP90AB1 P08238 1/20 0.40
FAAH O00519 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8537604 0.91 POLB (0.41) L3MBTL1POLBALDH1A1HTTGAA
SCHEMBL8482735 0.90 TEAD3 (0.43) L3MBTL1POLBALDH1A1TSHRGAA
SCHEMBL8482611 0.84 L3MBTL1 (0.41) L3MBTL1POLBKDM4EALDH1A1TSHR
SCHEMBL8482314 0.81 ALDH1A1 (0.38) L3MBTL1POLBKDM4EALDH1A1KMT2A
SCHEMBL8537606 0.80 L3MBTL1 (0.56) L3MBTL1POLBKDM4EALDH1A1LMNA
SCHEMBL5557209 0.76 BACE1 (0.39) L3MBTL1POLBKDM4EALDH1A1KMT2A
SCHEMBL8560245 0.74 ALDH1A1 (0.43) L3MBTL1POLBKDM4EALDH1A1HTT
SCHEMBL5555228 0.73 ALDH1A1 (0.43) L3MBTL1POLBKDM4EALDH1A1TSHR
SCHEMBL8481805 0.73 ALDH1A1 (0.48) L3MBTL1POLBKDM4EALDH1A1LMNA
SCHEMBL9315964 0.72 ITGB3 (0.47) L3MBTL1POLBKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485045-B1 Mono-N-substituted 1,4,7,10-Tetraazacyclododecan-derivatives, process for their preparation and pharmaceutical agent containing them SCHERING AG (DE) 1998-12-30 EP disclosed
US-5277895-A Nuclear magnetic resonance SCHERING AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
EP-0485045-A2 Mono-N-substituted 1,4,7,10-Tetraazacyclododecan-derivatives, process for their preparation and pharmaceutical agent containing them SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-13 EP disclosed