SCHEMBL9080751

SCHEMBL9080751

CCOC(=O)C(C)(C)N(C(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP30 Q70CQ3 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL9080745 0.80 GSTO1 (0.40) BACE1KDM4ENPC1LMNARAB9A
SCHEMBL20199872 0.72 DRD4 (0.42) KDM4ELMNASMN1; SMN2CHRM2CHRM4
SCHEMBL14905959 0.70 GSK3A (0.40) KDM4EGAALMNAL3MBTL1CHRM2
SCHEMBL21401295 0.70 GSK3A (0.40) KDM4EGAALMNAL3MBTL1CHRM2
SCHEMBL27383795 0.70 GSK3A (0.40) KDM4EGAALMNAL3MBTL1CHRM2
Tromethamine SCHEMBL9264448 0.69 GSTO1 (0.38) KDM4ENPC1LMNARAB9AUSP30
SCHEMBL25422192 0.69 ALDH1A1 (0.49) NPC1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL2811174 0.69 ALDH1A1 (0.49) NPC1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL28519312 0.69 ALDH1A1 (0.49) NPC1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL12004770 0.69 ALDH1A1 (0.49) NPC1LMNARAB9AL3MBTL1SMN1; SMN2

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-5573752-A Aromatic amide compounds and metal chelates thereof BRACCO INTERNATIONAL B.V. 1996-11-12 US disclosed