SCHEMBL7345250

SCHEMBL7345250

CC(C)C[C@H](O)[C@H](O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
KLK5 Q9Y337 2/20 0.48
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
APP P05067 1/20 0.47
PTPN1 P18031 1/20 0.45
REN P00797 9/20 0.44
CCR1 P32246 1/20 0.43

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
SCHEMBL9439828 1.00 CTSB (0.54) CTSBCTSSCTSKKLK5PSEN1
SCHEMBL9439843 1.00 CTSB (0.54) CTSBCTSSCTSKKLK5PSEN1
SCHEMBL9439832 1.00 CTSB (0.54) CTSBCTSSCTSKKLK5PSEN1
SCHEMBL7377285 0.89 REN (0.56) CTSBCTSSCTSKREN
SCHEMBL7377290 0.89 REN (0.56) CTSBCTSSCTSKREN
SCHEMBL7351550 0.88 REN (0.57) CTSBCTSSCTSKREN
SCHEMBL7351566 0.88 REN (0.57) CTSBCTSSCTSKREN
SCHEMBL5709671 0.87 PSEN1 (0.59) CTSSKLK5PSEN1PSEN2APH1B
SCHEMBL9282508 0.87 PSEN1 (0.59) CTSSKLK5PSEN1PSEN2APH1B
SCHEMBL7347394 0.84 CTSB (0.55) CTSBCTSSCTSKKLK5PSEN1

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
WO-1992013545-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1992-08-20 WO disclosed