SCHEMBL2474380

SCHEMBL2474380

CC(CCc1ccccc1)NCC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
DPP4 P27487 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.50
OPRK1 P41145 1/20 0.49
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL12221920 0.84 ITGA4 (0.51) SMN1; SMN2CTSSCTSK
SCHEMBL12198439 0.81 SMN1; SMN2 (0.59) ALDH1A1DPP4SMN1; SMN2KMT2AMEN1
SCHEMBL28733236 0.80 CTSK (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL10981741 0.80 CTSK (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL10974978 0.80 CTSK (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL948952 0.80 NPC1 (0.49) ALDH1A1KMT2AMEN1CTSKNPC1
Hydrochloric Acid SCHEMBL10493771 0.78 NPC1 (0.48) ALDH1A1KMT2AMEN1CTSKNPC1
SCHEMBL7561001 0.78 MMP13 (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL2135542 0.77 POLB (0.46) ALDH1A1KMT2AMEN1OPRK1
SCHEMBL19456095 0.77 CTSS (0.50) ALDH1A1KMT2AMEN1HPGDOPRK1

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-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed
EP-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed