SCHEMBL8564857

SCHEMBL8564857

CC(O)COCC(O)CN1CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
CTSL P07711 2/20 0.51
CTSS P25774 2/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8973143 0.94 TSHR (0.60) L3MBTL1POLBTSHRALDH1A1LMNA
SCHEMBL12346593 0.89 ALDH1A1 (0.55) L3MBTL1POLBTSHRALDH1A1LMNA
SCHEMBL21023230 0.89 TSHR (0.54) L3MBTL1POLBTSHRALDH1A1LMNA
SCHEMBL1498835 0.87 MEN1 (0.57) L3MBTL1POLBALDH1A1MEN1KMT2A
SCHEMBL18590373 0.84 TSHR (0.52) L3MBTL1POLBTSHRALDH1A1LMNA
SCHEMBL1267899 0.83 MEN1 (0.58) L3MBTL1POLBTSHRALDH1A1MEN1
SCHEMBL1499013 0.82 MEN1 (0.54) L3MBTL1POLBTSHRALDH1A1LMNA
SCHEMBL8559766 0.82 MEN1 (0.54) L3MBTL1POLBALDH1A1MEN1KMT2A
SCHEMBL18578656 0.82 MEN1 (0.54) L3MBTL1POLBTSHRALDH1A1LMNA
SCHEMBL25484888 0.82 MEN1 (0.54) L3MBTL1POLBTSHRALDH1A1LMNA

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
US-5747000-A 1,4-7-TRIS-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES; DETERMINING CHEMICAL SHIFT OF SIGNALS IN NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed