SCHEMBL9274337

SCHEMBL9274337

CC(C)C[C@H](NC(=O)CN)C(=O)N(C(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)CF

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.43
CTSL P07711 3/20 0.43
CTSS P25774 3/20 0.43
CTSB P07858 2/20 0.43
CAPN1 P07384 2/20 0.42
ACE P12821 1/20 0.40
PTPN1 P18031 1/20 0.40
REN P00797 1/20 0.40

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
SCHEMBL7285563 0.79 SLC15A1 (0.42) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL3394167 0.76 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL3394165 0.76 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL30516234 0.76 CTSK (0.56) CTSKCTSLCTSSCTSB
Hydrochloric Acid SCHEMBL11604468 0.75 CTSK (0.55) CTSKCTSLCTSSCTSB
SCHEMBL27809385 0.73 ANPEP (0.48) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5934705 0.72 CTSK (0.58) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7480288 0.71 MMP1 (0.53) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL14345793 0.71 CTSC (0.55) ACE
SCHEMBL28034519 0.71 CTSK (0.49) CTSKCTSLCTSSCTSBCAPN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442754-B1 Reagents and methods for stereospecific fluoromethylation PROTOTEK INC (US) 1995-12-27 EP disclosed
US-5344939-A Esterification PROTOTEK, INC. (US) 1994-09-06 US disclosed
US-5210272-A Using a magnesium fluoromalonate to fluoromethylate a carboxylic acid PROTOTEK, INC. (US) 1993-05-11 US disclosed
US-5101068-A Monofluoromethylation of organic compounds, reaction with amino acids PROTOTEK INC. (US) 1992-03-31 US disclosed
EP-0442754-A2 Reagents and methods for stereospecific fluoromethylation PROTOTEK, INC., (US) 1991-08-21 EP disclosed