SCHEMBL27524596

SCHEMBL27524596

Cc1ccc2cc(C(=O)O)n(C(C)CNC(=O)OC(C)(C)C)c2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.36
SYK P43405 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
BRD4 O60885 5/20 0.34
AAK1 Q2M2I8 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CCR9 P51686 1/20 0.33

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
SCHEMBL5359174 0.89 SYK (0.37) PCSK9SYKBRD4AAK1MEN1
SCHEMBL5359170 0.89 SYK (0.37) PCSK9SYKBRD4AAK1MEN1
SCHEMBL28746070 0.89 PCSK9 (0.36) PCSK9SYKACACBACACAAAK1
SCHEMBL27573512 0.88 AAK1 (0.38) PCSK9SYKBRD4AAK1ALDH1A1
SCHEMBL27548075 0.88 PCSK9 (0.36) PCSK9SYKBRD4AAK1ALDH1A1
SCHEMBL28746073 0.86 PCSK9 (0.39) PCSK9SYKBRD4AAK1NQO2
SCHEMBL27550183 0.84 AAK1 (0.37) PCSK9SYKBRD4AAK1NQO2
SCHEMBL27522212 0.84 PHGDH (0.35) PCSK9SYKAAK1MEN1ALDH1A1
SCHEMBL27521700 0.81 AAK1 (0.36) PCSK9SYKAAK1ALDH1A1HPGD
SCHEMBL27548104 0.81 MEN1 (0.39) PCSK9SYKBRD4MEN1KMT2A

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
CN-1277828-C Piperzine devivs. HOFFMANN LA ROCHE (CH) 2006-10-04 CN disclosed
CN-1452622-A Piperzine devivs. HOFFMANN LA ROCHE (CH) 2003-10-29 CN disclosed