SCHEMBL4051046

SCHEMBL4051046

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1)Oc1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
GPR132 Q9UNW8 1/20 0.35
F12 P00748 2/20 0.33
ELANE P08246 1/20 0.32
PREP P48147 2/20 0.32
FAP Q12884 1/20 0.32
HTRA1 Q92743 2/20 0.32
CTSK P43235 2/20 0.32
FPR2 P25090 1/20 0.31
AVPR1B P47901 1/20 0.31
CPB2 Q96IY4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PSMB11 A5LHX3 1/20 0.31
PSMA7 O14818 1/20 0.31
PSMB1 P20618 1/20 0.31
PSMA1 P25786 1/20 0.31
PSMA2 P25787 1/20 0.31
PSMA3 P25788 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
SCHEMBL4047118 0.90 CTSK (0.41) CTSLCTSSELANEPREPFAP
SCHEMBL4046543 0.90 KCNQ1 (0.38) CTSVCTSLCTSSGPR132F12
SCHEMBL4045044 0.89 CTSK (0.36) ELANEPREPFAPCTSKAVPR1B
SCHEMBL4045553 0.89 CTSK (0.34) GPR132ELANEPREPFAPCTSK
SCHEMBL4045926 0.88 GPR132 (0.36) CTSVCTSLCTSSGPR132HTRA1
SCHEMBL4043551 0.88 CTSL (0.41) CTSVCTSLCTSSGPR132F12
SCHEMBL4041994 0.88 CTSS (0.39) CTSVCTSLCTSSF12HTRA1
SCHEMBL4048072 0.86 CTSV (0.39) CTSVCTSLCTSSGPR132F12
SCHEMBL4042447 0.84 CTSL (0.43) CTSVCTSLCTSSCTSK
SCHEMBL4041667 0.83 HTRA1 (0.38) CTSVCTSLCTSSGPR132F12

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed