SCHEMBL7365730

SCHEMBL7365730

CC(C)(C)OC(=O)N1[C@@H](CC2CCCCC2)[C@H]([C@@H]2OCC[C@H]2C(=O)O)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RABGGTB P53611 2/20 0.33
RABGGTA Q92696 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
HCRTR2 O43614 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
RECQL P46063 1/20 0.30
EPHX1 P07099 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 1.00 RABGGTB (0.33) RABGGTBRABGGTASMN1; SMN2HCRTR2SPHK1
SCHEMBL7363618 0.85 HCRTR2 (0.32) HCRTR2EPHX1
SCHEMBL7363622 0.85 HCRTR2 (0.32) HCRTR2EPHX1
SCHEMBL7363627 0.85 HCRTR2 (0.32) HCRTR2EPHX1
SCHEMBL7361264 0.85 RABGGTB (0.32) RABGGTBRABGGTASMN1; SMN2
SCHEMBL9556791 0.84 SPHK1 (0.34) HCRTR2SPHK1EPHX1
SCHEMBL10528950 0.84 SPHK1 (0.35) RABGGTBRABGGTASMN1; SMN2HCRTR2SPHK1
SCHEMBL9556455 0.82 SPHK1 (0.34) HCRTR2SPHK1EPHX1
SCHEMBL9841957 0.82 SMN1; SMN2 (0.35) RABGGTBRABGGTASMN1; SMN2SPHK1CTSS
SCHEMBL7286513 0.82 SMN1; SMN2 (0.35) RABGGTBRABGGTASMN1; SMN2SPHK1CTSS

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 4 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
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed