SCHEMBL4043551

SCHEMBL4043551

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1)Oc1ccoc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.41
CTSS P25774 3/20 0.41
CTSV O60911 2/20 0.41
GPR132 Q9UNW8 1/20 0.35
ELANE P08246 1/20 0.32
HTRA1 Q92743 2/20 0.32
CTSK P43235 4/20 0.32
F12 P00748 2/20 0.31
FPR2 P25090 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
CPB2 Q96IY4 1/20 0.31
F2RL1 P55085 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4043817 0.90 CTSL (0.39) CTSLCTSSCTSVGPR132HTRA1
SCHEMBL4045591 0.90 CTSK (0.41) CTSLCTSSELANECTSKPREP
SCHEMBL4047790 0.89 CTSK (0.36) CTSLCTSSELANECTSKPREP
SCHEMBL4051473 0.89 CTSK (0.34) GPR132ELANECTSKPREPFAP
SCHEMBL4047756 0.88 CTSL (0.38) CTSLCTSSCTSVGPR132HTRA1
SCHEMBL4051046 0.88 CTSV (0.39) CTSLCTSSCTSVGPR132ELANE
SCHEMBL4050085 0.87 CTSS (0.40) CTSLCTSSCTSVHTRA1CTSK
SCHEMBL4047616 0.84 CTSL (0.46) CTSLCTSSCTSVCTSK
SCHEMBL4048072 0.83 CTSV (0.39) CTSLCTSSCTSVGPR132HTRA1
SCHEMBL4044772 0.83 CTSV (0.39) CTSLCTSSCTSVGPR132HTRA1

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