SCHEMBL7162370

SCHEMBL7162370

CCC(CC)C[C@H](O)C1C(NC(=O)OCc2ccccc2)CC(C(=O)O)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ DPP4 P27487 4/20 0.39
▸ DPP7 Q9UHL4 4/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ CTSK P43235 2/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36

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
SCHEMBL7092695 1.00 CPB1 (0.42) CPB1ALDH1A1GAADPP4DPP7
SCHEMBL6702928 0.90 KMT2A (0.43) CPB1ALDH1A1GAADPP4DPP7
SCHEMBL6698054 0.90 KMT2A (0.43) CPB1ALDH1A1GAADPP4DPP7
SCHEMBL7021089 0.90 CPB1 (0.44) CPB1ALDH1A1GAADPP4DPP7
SCHEMBL7099096 0.90 CPB1 (0.44) CPB1ALDH1A1GAADPP4DPP7
SCHEMBL6986343 0.90 CPB1 (0.44) CPB1ALDH1A1GAADPP4DPP7
SCHEMBL7170460 0.87 CPB1 (0.40) CPB1ALDH1A1GAADPP4DPP7
SCHEMBL6699865 0.81 KMT2A (0.44) CPB1CTSKCTSL
SCHEMBL6702210 0.81 KMT2A (0.44) CPB1CTSKCTSL
SCHEMBL6693712 0.81 CPB1 (0.43) CPB1ALDH1A1GAADPP4DPP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358154-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES Abbott Laboratories (US) 2003-11-05 — — EP disclosed
WO-2001028996-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 — — WO disclosed
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