SCHEMBL6891376

SCHEMBL6891376

C[C@H](NC(Cc1ccccc1)[C@H](O)COC(N)=O)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.49
METAP1 P53582 5/20 0.49
EPHX2 P34913 2/20 0.44
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ACP3 P15309 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CASP1 P29466 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
SCHEMBL4253384 0.76 BCHE (0.49) LMNAALDH1A1
SCHEMBL5578427 0.75 METAP2 (0.52) METAP2METAP1EPHX2LMNAGAA
SCHEMBL7610450 0.74 METAP2 (0.47) METAP2METAP1EPHX2LMNAGAA
SCHEMBL7610434 0.74 METAP2 (0.47) METAP2METAP1EPHX2LMNAGAA
SCHEMBL7610441 0.74 METAP2 (0.47) METAP2METAP1EPHX2LMNAGAA
SCHEMBL7612959 0.73 METAP2 (0.49) METAP2METAP1EPHX2LMNAGAA
SCHEMBL7612965 0.73 METAP2 (0.49) METAP2METAP1EPHX2LMNAGAA
SCHEMBL4888894 0.70 CYP2C9 (0.50) METAP2METAP1EPHX2LMNAGAA
SCHEMBL4888890 0.70 CYP2C9 (0.50) METAP2METAP1EPHX2LMNAGAA
SCHEMBL4888902 0.70 CYP2C9 (0.50) METAP2METAP1EPHX2LMNAGAA

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
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed