SCHEMBL5406749

SCHEMBL5406749

O=C(O)CC(=O)C(CCC(c1ccccc1)c1ccccc1)OCCc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.36
RAB9A P51151 1/20 0.36
TBXAS1 P24557 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL5405595 0.82 EPHX2 (0.41) EPHX2LMNASMN1; SMN2RAB9A
SCHEMBL5414559 0.78 SMN1; SMN2 (0.47) LMNASMN1; SMN2
SCHEMBL5413350 0.75 NPC1 (0.46) LMNASMN1; SMN2RAB9A
SCHEMBL5406745 0.74 EPHX2 (0.41) EPHX2LMNAGAASMN1; SMN2LTA4H
SCHEMBL5410214 0.73 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL5403135 0.73 MTNR1A (0.46) EPHX2SMN1; SMN2
SCHEMBL5407587 0.72 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL5401748 0.72 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL1505920 0.71 SIGMAR1 (0.54) LMNASMN1; SMN2LTA4HRAB9ASLC6A2
SCHEMBL10757568 0.69 SMN1; SMN2 (0.43) LMNASMN1; 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-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US disclosed