SCHEMBL19982897

SCHEMBL19982897

N#CC(NC(=O)c1ccccc1)C(O)C(=O)NCC1CCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.52
CTSK P43235 5/20 0.52
CTSB P07858 5/20 0.52
CTSS P25774 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 1/20 0.44
ALDH1A1 P00352 1/20 0.43
F10 P00742 5/20 0.41
PRSS1 P07477 3/20 0.41
F2 P00734 1/20 0.41
ROCK2 O75116 1/20 0.40
EPHX1 P07099 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL19974729 0.82 ALDH1A1 (0.50) CTSLCTSKCTSBCTSSSMN1; SMN2
SCHEMBL19975354 0.80 ALDH1A1 (0.53) CTSLCTSKCTSBCTSSSMN1; SMN2
SCHEMBL19982723 0.80 SMN1; SMN2 (0.52) CTSLCTSKCTSBSMN1; SMN2ALDH1A1
SCHEMBL21176167 0.79 ALDH1A1 (0.55) CTSLCTSKCTSBCTSSSMN1; SMN2
SCHEMBL19975275 0.77 F10 (0.47) CTSLCTSKCTSBCTSSSMN1; SMN2
SCHEMBL8393362 0.75 SMN1; SMN2 (0.68) CTSLCTSKCTSBSMN1; SMN2HDAC3
SCHEMBL19975200 0.75 F10 (0.48) CTSLCTSKCTSBCTSSSMN1; SMN2
SCHEMBL19975371 0.75 CTSL (0.46) CTSLCTSKCTSBCTSSSMN1; SMN2
SCHEMBL19974854 0.73 GPR88 (0.45) CTSLCTSKCTSBCTSSSMN1; SMN2
SCHEMBL8391563 0.72 SMN1; SMN2 (0.73) CTSLCTSKCTSBSMN1; SMN2HDAC3

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
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed