SCHEMBL7335233

SCHEMBL7335233

CCCCCCCCc1nc(CC([C]=O)NC(=O)OC(C)(C)C)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.34
CTSS P25774 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPRB P23467 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7335239 0.84 CTSK (0.41) CTSK
SCHEMBL8992436 0.74 NPSR1 (0.43) CTSKALDH1A1ATMTDP1LMNA
SCHEMBL7272919 0.73 CPB2 (0.50) CTSKCTSS
SCHEMBL7400373 0.73 CTSS (0.36) CTSKCTSSATMTDP1
SCHEMBL2425411 0.73 CTSS (0.36) CTSKCTSSATMTDP1
SCHEMBL7271490 0.70 ITGB3 (0.53)
SCHEMBL10697416 0.70 KCNH2 (0.50) ALDH1A1
SCHEMBL9817100 0.70 KCNH2 (0.50) ALDH1A1
SCHEMBL730079 0.70 KCNH2 (0.50) ALDH1A1
SCHEMBL4445935 0.70 KCNH2 (0.50) ALDH1A1

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-0486011-A2 Pharmaceutical composition against Pneumocystis carinii FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-20 EP disclosed