SCHEMBL10596454

SCHEMBL10596454

COC(=O)C1NC(=O)OC1[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.32
ADAM17 P78536 1/20 0.32

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
SCHEMBL10596441 1.00 MMP3 (0.32) MMP3ADAM17
SCHEMBL10596447 1.00 MMP3 (0.32) MMP3ADAM17
SCHEMBL7363618 0.80 HCRTR2 (0.32) MMP3ADAM17
SCHEMBL7363622 0.80 HCRTR2 (0.32) MMP3ADAM17
SCHEMBL7363627 0.80 HCRTR2 (0.32) MMP3ADAM17
SCHEMBL10591603 0.79 BACE1 (0.31)
SCHEMBL10591597 0.79 BACE1 (0.31)
SCHEMBL10591602 0.79 BACE1 (0.31)
SCHEMBL10591982 0.79 RABGGTB (0.32)
SCHEMBL10591987 0.79 RABGGTB (0.32)

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-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed