SCHEMBL630671

SCHEMBL630671

CCOc1ccc(NC(=O)[C@H](Cc2ccc(C(C)=O)cc2)NC(=O)O[C@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.45
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
MAPT P10636 2/20 0.42
KCNQ1 P51787 1/20 0.42
KMT2A Q03164 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
BDKRB1 P46663 5/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
MMP1 P03956 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL631181 0.92 LMNA (0.44) POLBLMNACHRM2CHRM3MAPT
SCHEMBL630349 0.90 POLB (0.54) POLBLMNACHRM2CHRM3MAPT
SCHEMBL1382765 0.90 POLB (0.54) POLBLMNACHRM2CHRM3MAPT
SCHEMBL630495 0.89 POLB (0.44) POLBLMNACHRM2CHRM3MAPT
SCHEMBL630680 0.85 KCNQ1 (0.48) POLBMAPTKCNQ1KMT2AHCRTR1
SCHEMBL630055 0.84 KCNQ1 (0.47) POLBLMNAMAPTKCNQ1KMT2A
SCHEMBL631034 0.83 KCNQ1 (0.44) POLBKCNQ1KMT2AHCRTR1HCRTR2
SCHEMBL630231 0.82 EPHX2 (0.44) POLBLMNAMAPTKMT2ABDKRB1
SCHEMBL630614 0.82 POLB (0.44) POLBCHRM2CHRM3KCNQ1KMT2A
SCHEMBL13206969 0.82 LMNA (0.53) POLBLMNAKCNQ1KMT2AHCRTR1

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-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed