SCHEMBL7361264

SCHEMBL7361264

C[C@@H]1C[C@@H](C(=O)O)[C@H]([C@@H]2OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]2CC2CCCCC2)O1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RABGGTB P53611 2/20 0.32
RABGGTA Q92696 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7365732 0.85 RABGGTB (0.33) RABGGTBRABGGTASMN1; SMN2
SCHEMBL7365730 0.85 RABGGTB (0.33) RABGGTBRABGGTASMN1; SMN2
SCHEMBL9556791 0.82 SPHK1 (0.34)
SCHEMBL7394682 0.81 EPHX1 (0.32)
SCHEMBL7394683 0.81 EPHX1 (0.32)
SCHEMBL7394681 0.81 EPHX1 (0.32)
SCHEMBL9505583 0.81 NR1H2 (0.33)
SCHEMBL10528950 0.79 SPHK1 (0.35) RABGGTBRABGGTASMN1; SMN2
SCHEMBL7286513 0.79 SMN1; SMN2 (0.35) RABGGTBRABGGTASMN1; SMN2
SCHEMBL9841957 0.79 SMN1; SMN2 (0.35) RABGGTBRABGGTASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed