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Sugi Predict / Compounds / SCHEMBL7293265

SCHEMBL7293265

SCHEMBL7293265

O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccc(OCCO)cc1)CC(O)C[C@@H](Cc1ccc(OCCO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 13/20 0.65
▸ MMP9 P14780 6/20 0.59
▸ MMP2 P08253 5/20 0.59
▸ MMP1 P03956 3/20 0.59
▸ MMP8 P22894 2/20 0.59

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
SCHEMBL7300253 0.86 VIPR2 (0.70) VIPR2MMP9MMP2MMP1MMP8
SCHEMBL7300250 0.86 VIPR2 (0.70) VIPR2MMP9MMP2MMP1MMP8
SCHEMBL7300433 0.85 VIPR2 (0.58) VIPR2MMP9MMP2MMP1MMP8
SCHEMBL7300421 0.85 VIPR2 (0.58) VIPR2MMP9MMP2MMP1MMP8
SCHEMBL7293187 0.85 MMP9 (0.74) VIPR2MMP9MMP2MMP1MMP8
SCHEMBL7293189 0.85 MMP9 (0.74) VIPR2MMP9MMP2MMP1MMP8
SCHEMBL7292425 0.83 VIPR2 (0.47) VIPR2MMP9MMP2MMP1MMP8
SCHEMBL7339575 0.83 VIPR2 (0.56) VIPR2MMP9MMP2MMP1MMP8
SCHEMBL7339571 0.83 VIPR2 (0.56) VIPR2MMP9MMP2MMP1MMP8
SCHEMBL7297737 0.83 VIPR2 (0.56) VIPR2MMP9MMP2MMP1MMP8

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-0480714-A2 HIV protease inhibitors having symmetrical structure MERCK & CO. INC. (US) 1992-04-15 — — EP claimed
EP-0480714-A2 HIV protease inhibitors having symmetrical structure MERCK & CO. INC. (US) 1992-04-15 — — EP disclosed