SCHEMBL7327982

SCHEMBL7327982

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCNCCO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 14/20 0.53
MMP9 P14780 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45
PSENEN Q9NZ42 3/20 0.45
APP P05067 1/20 0.44

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
SCHEMBL7327975 1.00 VIPR2 (0.53) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7327987 1.00 VIPR2 (0.53) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7339571 0.94 VIPR2 (0.56) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7339575 0.94 VIPR2 (0.56) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7297737 0.94 VIPR2 (0.56) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7332973 0.93 VIPR2 (0.54) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7332976 0.93 VIPR2 (0.54) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7332978 0.93 VIPR2 (0.54) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7333990 0.90 VIPR2 (0.55) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7333987 0.90 VIPR2 (0.55) VIPR2MMP9MMP1MMP2MMP8

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
EP-0434365-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1991-06-26 EP claimed