SCHEMBL8423965

SCHEMBL8423965

CNC(=Nc1ccccc1N1CCOCC1)N(C)OC(=O)/C=C/C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
GAA P10253 4/20 0.40
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAPEPLD Q6IQ20 3/20 0.38
POLB P06746 4/20 0.38
LMNA P02545 2/20 0.37
ALOX12 P18054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 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
SCHEMBL9424644 0.83 ALDH1A1 (0.40) ALDH1A1GAAMAPTL3MBTL1RAB9A
SCHEMBL2908207 0.81 ALDH1A1 (0.40) ALDH1A1GAAMAPTL3MBTL1SMN1; SMN2
Fumaric Acid SCHEMBL4968361 0.80 POLB (0.40) ALDH1A1GAAMAPTL3MBTL1RAB9A
Fumaric Acid SCHEMBL2908209 0.80 POLB (0.40) ALDH1A1GAAMAPTL3MBTL1RAB9A
Fumaric Acid SCHEMBL2908206 0.80 POLB (0.40) ALDH1A1GAAMAPTL3MBTL1RAB9A
SCHEMBL9060638 0.79 ALDH1A1 (0.39) ALDH1A1GAAMAPTL3MBTL1RAB9A
SCHEMBL9060642 0.79 ALDH1A1 (0.39) ALDH1A1GAAMAPTL3MBTL1RAB9A
Fumaric Acid SCHEMBL17078223 0.76 POLB (0.39) ALDH1A1GAAMAPTL3MBTL1RAB9A
SCHEMBL6662526 0.75 LMNA (0.42) ALDH1A1GAAMAPTL3MBTL1RAB9A
Fumaric Acid SCHEMBL6139704 0.75 LMNA (0.43) ALDH1A1GAAMAPTL3MBTL1RAB9A

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
EP-0946181-A1 USE OF 2-(2-MORPHOLINOPHENYL) GUANIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES COMPLICATIONS KNOLL AKTIENGESELLSCHAFT (DE) 1999-10-06 EP claimed
WO-1998026782-A1 USE OF 2-(2-MORPHOLINOPHENYL) GUANIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES COMPLICATIONS KNOLL AKTIENGESELLSCHAFT (DE) 1998-06-25 WO claimed