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SCHEMBL6691040

SCHEMBL6691040

COc1cccc(C(=O)NCCC(C(=O)NCC(Cc2ccccc2)C2CNc3ccc(F)cc32)C2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 12/20 0.44
▸ CTSL P07711 8/20 0.44
▸ CCR3 P51677 2/20 0.41
▸ CTSK P43235 2/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL6687345 0.83 CTSS (0.45) CTSSCTSLCCR3CTSKDRD4
SCHEMBL6690325 0.80 CTSS (0.46) CTSSCTSLCCR3CTSKDRD4
SCHEMBL6689425 0.77 HDAC8 (0.42) CTSSCTSLCTSKDRD4MEN1
SCHEMBL6690013 0.77 CCR3 (0.40) CTSSCTSLCCR3CTSKMEN1
SCHEMBL6688064 0.77 CTSS (0.42) CTSSCTSLCCR3CTSKDRD4
SCHEMBL6688719 0.76 DRD4 (0.38) CTSSCTSLCCR3CTSKDRD4
SCHEMBL6698515 0.76 DRD4 (0.39) CTSSCTSLCCR3CTSKDRD4
SCHEMBL6693429 0.75 DRD4 (0.39) CTSSCTSLCCR3CTSKDRD4
SCHEMBL6687213 0.75 RAB9A (0.41) CTSSCTSLCTSKMEN1ALDH1A1
SCHEMBL6690876 0.75 DRD4 (0.38) CTSSCTSLCCR3CTSKDRD4

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-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 — — WO disclosed