SCHEMBL10448591

SCHEMBL10448591

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RABGGTB P53611 2/20 0.33
RABGGTA Q92696 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
EPHX1 P07099 1/20 0.32
BACE1 P56817 2/20 0.32
CTSD P07339 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 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
SCHEMBL7275840 0.92 KDM5A (0.36) RABGGTBRABGGTASPHK1CTSSCTSK
SCHEMBL9444999 0.89 EPHX1 (0.33) RABGGTBRABGGTASMN1; SMN2SPHK1CTSS
SCHEMBL9444993 0.89 EPHX1 (0.33) RABGGTBRABGGTASMN1; SMN2SPHK1CTSS
SCHEMBL9438130 0.88 SPHK1 (0.32) RABGGTBRABGGTASPHK1CTSSCTSK
SCHEMBL7378719 0.88 SPHK1 (0.32) RABGGTBRABGGTASPHK1CTSSCTSK
SCHEMBL7378718 0.88 SPHK1 (0.32) RABGGTBRABGGTASPHK1CTSSCTSK
SCHEMBL7387129 0.87 RABGGTB (0.33) RABGGTBRABGGTA
SCHEMBL9516511 0.85 EPHX1 (0.33) RABGGTBRABGGTASMN1; SMN2SPHK1CTSS
SCHEMBL7300252 0.85 EPHX1 (0.33) RABGGTBRABGGTASMN1; SMN2SPHK1CTSS
SCHEMBL7372551 0.85 EPHX1 (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP disclosed