SCHEMBL27360347

SCHEMBL27360347

N#CC1(CNC(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.59
CTSS P25774 5/20 0.59
CTSB P07858 3/20 0.59
ALDH1A1 P00352 1/20 0.52
CTSK P43235 2/20 0.51
PREP P48147 2/20 0.51
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
TACR1 P25103 1/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL2864243 0.81 CTSL (0.49) CTSLCTSSCTSBALDH1A1CTSK
SCHEMBL9900827 0.80 CTSL (0.63) CTSLCTSSCTSBALDH1A1CTSK
SCHEMBL4861409 0.80 CTSL (0.53) CTSLCTSSCTSBALDH1A1LMNA
SCHEMBL3647693 0.80 CTSL (0.53) CTSLCTSSCTSBALDH1A1LMNA
SCHEMBL25857104 0.80 CTSL (0.53) CTSLCTSSCTSBALDH1A1LMNA
SCHEMBL6381245 0.78 CPB1 (0.56) CTSLCTSSCTSBALDH1A1CTSK
SCHEMBL4549855 0.78 LMNA (0.54) CTSLCTSSCTSBALDH1A1LMNA
SCHEMBL16590476 0.78 FKBP1A (0.60) CTSLCTSSCTSBALDH1A1CTSK
SCHEMBL4870701 0.78 LMNA (0.54) CTSLCTSSCTSBALDH1A1LMNA
SCHEMBL1745955 0.77 HTT (0.51) CTSLCTSSCTSBALDH1A1CTSK

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
CN-1066712-C Prolinamide derivatives MITSUBISHI CHEM CORP (JP) 2001-06-06 CN disclosed