SCHEMBL7806366

SCHEMBL7806366

CC(C)(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 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.47
CTSS P25774 4/20 0.47
CTSB P07858 3/20 0.47
CTSK P43235 2/20 0.47
CTSD P07339 1/20 0.47
CMA1 P23946 1/20 0.44
TACR1 P25103 2/20 0.43
REN P00797 1/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL7809241 0.90 CTSD (0.55) CTSLCTSSCTSBCTSKCTSD
SCHEMBL7806325 0.89 CMA1 (0.49) CTSLCTSSCTSBCTSKCTSD
SCHEMBL8945318 0.84 CTSD (0.46) CTSLCTSSCTSKCTSDCMA1
SCHEMBL7419140 0.80 CTSL (0.48) CTSLCTSSCTSBCTSKCTSD
SCHEMBL7424510 0.80 CTSL (0.48) CTSLCTSSCTSBCTSKCTSD
SCHEMBL7801243 0.76 CTSK (0.52) CTSLCTSSCTSBCTSKTACR1
SCHEMBL7801249 0.76 CASP3 (0.46) CTSLCTSSCTSBCTSKCTSD
SCHEMBL30431747 0.75 SYK (0.49) CTSLCTSSCTSBCTSKCTSD
SCHEMBL8492203 0.74 CTSD (0.54) CTSLCTSSCTSBCTSKCTSD
SCHEMBL8196072 0.74 TACR1 (0.61) CTSLCTSSCTSBCTSKTACR1

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
EP-0721449-B1 INHIBITORS OF BETA-AMYLOID PROTEIN PRODUCTION MERRELL PHARMA INC (US) 2001-12-19 EP claimed