SCHEMBL8422387

SCHEMBL8422387

CCC(CC)C(=O)NOC(=O)CC(=O)OCc1cccc(NC#N)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.35
CTSB P07858 5/20 0.35
CTSS P25774 5/20 0.35
CTSK P43235 4/20 0.35
LMNA P02545 2/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TACR1 P25103 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AS3MT Q9HBK9 1/20 0.33

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
SCHEMBL8422211 0.87 ALDH1A1 (0.38) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL8528385 0.82 THRA (0.36) LMNAKMT2ATACR1ALDH1A1SMN1; SMN2
SCHEMBL8526941 0.74 PPID (0.39) LMNAALDH1A1SMN1; SMN2
SCHEMBL8423454 0.70 LMNA (0.40) CTSLCTSBCTSKLMNAKMT2A
SCHEMBL1428501 0.68 TSHR (0.48) LMNASLC1A2SLC1A1KMT2AMEN1
SCHEMBL7201873 0.66 RAPGEF4 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2780510 0.66 ALDH1A1 (0.42) TACR1ALDH1A1
SCHEMBL8978333 0.65 ALDH1A1 (0.44) CTSLCTSBCTSSCTSKLMNA
SCHEMBL11506421 0.62 JAK2 (0.38) LMNAKMT2AMEN1
SCHEMBL1401141 0.62 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874472-A Aminoacid derivatives as no synthase inhibitors GLAXO WELLCOME INC. (US) 1999-02-23 US disclosed
EP-0705257-B1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS WELLCOME FOUND (GB) 1998-03-11 EP disclosed