SCHEMBL7801249

SCHEMBL7801249

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)(C(=O)C(F)(F)C(=O)NC[Si](C)(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CTSS P25774 5/20 0.43
CTSL P07711 4/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.43
CTSD P07339 2/20 0.42
CTSB P07858 3/20 0.42
CTSK P43235 2/20 0.42
ATM Q13315 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL7806325 0.81 CMA1 (0.49) CASP3CASP1CASP7CASP9CASP6
SCHEMBL7807985 0.77 CTSD (0.56) CASP3CASP1CASP7CASP9CASP6
SCHEMBL8945318 0.76 CTSD (0.46) CTSSCTSLCTSDCTSK
SCHEMBL18822181 0.76 CTSL (0.59) CASP3CASP1CASP7CASP9CASP6
SCHEMBL7806366 0.76 CTSL (0.47) CTSSCTSLCTSDCTSBCTSK
SCHEMBL15805662 0.73 CTSL (0.59) CASP3CASP1CASP7CASP9CASP6
SCHEMBL18745570 0.73 CTSL (0.59) CASP3CASP1CASP7CASP9CASP6
SCHEMBL7283767 0.72 ELANE (0.53) CASP3CASP1CASP7CASP9CASP6
SCHEMBL8199206 0.72 ELANE (0.61) CTSSCTSLCTSBCTSKATM
SCHEMBL4075762 0.71 CTSS (0.65) CASP3CASP1CASP7CASP9CASP6

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-0721449-B1 INHIBITORS OF BETA-AMYLOID PROTEIN PRODUCTION MERRELL PHARMA INC (US) 2001-12-19 EP disclosed
US-5977074-A THERAPY FOR ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS, INC. (US) 1999-11-02 US disclosed
EP-0721449-A1 INHIBITORS OF $g(b)-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1996-07-17 EP disclosed
WO-1995009838-A1 INHIBITORS OF β-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1995-04-13 WO disclosed