SCHEMBL7807953

SCHEMBL7807953

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.63
CTSS P25774 4/20 0.51
CTSL P07711 3/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
CASP3 P42574 2/20 0.51
REN P00797 2/20 0.51
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
ECE1 P42892 2/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
MME P08473 1/20 0.48
CTSB P07858 2/20 0.48
CTSK P43235 2/20 0.48

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
SCHEMBL7277467 0.90 CTSD (0.59) CTSDCTSSCTSLTRPM8CASP3
SCHEMBL9740721 0.88 CTSD (0.76) CTSDCTSSCTSLTRPM8CASP3
SCHEMBL6449641 0.88 CTSD (0.76) CTSDCTSSCTSLTRPM8CASP3
SCHEMBL6132144 0.88 CTSD (0.76) CTSDCTSSCTSLTRPM8CASP3
SCHEMBL9232828 0.88 CTSD (0.76) CTSDCTSSCTSLTRPM8CASP3
SCHEMBL6446151 0.88 CTSD (0.76) CTSDCTSSCTSLTRPM8CASP3
SCHEMBL6445103 0.88 CTSD (0.76) CTSDCTSSCTSLTRPM8CASP3
SCHEMBL6446780 0.88 CTSD (0.76) CTSDCTSSCTSLTRPM8CASP3
SCHEMBL5704587 0.87 TRPM8 (0.57) CTSDCTSSCTSLTRPM8CTSB
SCHEMBL7806362 0.87 CTSD (0.57) CTSDCTSSCTSLTRPM8CASP3

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