SCHEMBL5705391

SCHEMBL5705391

COC1OCC[C@@H]1N[C@@H](CC1CCCCC1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.35
CTSB P07858 3/20 0.35
CTSH P09668 2/20 0.35
CTSK P43235 7/20 0.34
CTSS P25774 4/20 0.34
CPB2 Q96IY4 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
CTSD P07339 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL3635782 0.81 CAPN1 (0.36) CNR1CNR2
SCHEMBL4620561 0.78 AAK1 (0.38) CTSLCTSBCTSHCTSKCPB2
SCHEMBL4689653 0.77 CPB2 (0.39) CTSKCTSSCPB2
SCHEMBL5705288 0.76 KDM1A (0.39)
SCHEMBL4807064 0.73 CAPN1 (0.31)
SCHEMBL3617417 0.70 CTSK (0.42) CTSLCTSBCTSHCTSKCTSS
SCHEMBL13710937 0.70 CTSK (0.42) CTSLCTSBCTSHCTSKCTSS
SCHEMBL13711061 0.70 CTSK (0.42) CTSLCTSBCTSHCTSKCTSS
SCHEMBL18435239 0.69 CTSK (0.44) CTSLCTSBCTSHCTSKCPB2
SCHEMBL13707910 0.69 CTSK (0.44) CTSLCTSBCTSHCTSKCPB2

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
EP-1701974-A2 NOVEL 2-HYDROXYTETRAHYDROFURANE DERIVATIVES AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-09-20 EP disclosed
WO-2005056551-A2 NOVEL 2-HYDROXYTETRAHYDROFURANE DERIVATIVES AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-06-23 WO disclosed