SCHEMBL7806325

SCHEMBL7806325

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NC[Si](C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 4/20 0.49
CTSD P07339 3/20 0.49
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
HTRA1 Q92743 2/20 0.45
CASP3 P42574 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL8945318 0.94 CTSD (0.46) CMA1CTSDCTSLCTSSCTSK
SCHEMBL7806366 0.89 CTSL (0.47) CMA1CTSDCTSLCTSSCTSB
SCHEMBL8492203 0.86 CTSD (0.54) CTSDCTSLCTSSCTSBCTSK
SCHEMBL8736216 0.84 CTSD (0.53) CMA1CTSDCTSSCTSKHTRA1
SCHEMBL7807985 0.83 CTSD (0.56) CTSDCTSLCTSSCTSBCTSK
SCHEMBL7806370 0.82 CTSD (0.49) CMA1CTSDCTSLCTSSCTSB
SCHEMBL7801249 0.81 CASP3 (0.46) CTSDCTSLCTSSCTSBCTSK
SCHEMBL8041651 0.81 MME (0.47) CMA1CTSDCTSSCTSKCASP3
SCHEMBL8364492 0.81 CTSD (0.48) CMA1CTSDCASP3CASP7
SCHEMBL8361286 0.80 CTSD (0.47) CMA1CTSDCTSLCTSSCTSB

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