SCHEMBL631450

SCHEMBL631450

CC1(C)CC(NC(=O)[C@H](Cc2ccc(OCCCF)cc2)NC(=O)O[C@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)CC(C)(C)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.36
MMP1 P03956 2/20 0.36
ADAM17 P78536 1/20 0.36
UTS2R Q9UKP6 2/20 0.35
FKBP1A P62942 1/20 0.35
FKBP4 Q02790 1/20 0.35
FKBP5 Q13451 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34
YAP1 P46937 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
ITGB1 P05556 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
SCHEMBL631041 0.91 ELOVL6 (0.40) KCNQ1MMP1ADAM17FKBP1AFKBP4
SCHEMBL630003 0.91 KCNQ1 (0.43) KCNQ1MMP1ADAM17FKBP1AFKBP4
SCHEMBL630287 0.84 KCNQ1 (0.39) KCNQ1UTS2RFKBP1AFKBP4FKBP5
SCHEMBL13225612 0.83 ITGB1 (0.41) KCNQ1MMP1ADAM17FKBP1AFKBP4
SCHEMBL631137 0.82 KCNQ1 (0.41) KCNQ1MMP1ADAM17FKBP1AFKBP4
SCHEMBL630717 0.81 KCNQ1 (0.42) KCNQ1MMP1ADAM17FKBP1AFKBP4
SCHEMBL1383737 0.81 KCNQ1 (0.45) KCNQ1MMP1ADAM17FKBP1AFKBP4
SCHEMBL630110 0.81 KCNQ1 (0.45) KCNQ1MMP1ADAM17FKBP1AFKBP4
SCHEMBL630706 0.80 KCNQ1 (0.46) KCNQ1FKBP1AFKBP4FKBP5KMT2A
SCHEMBL631454 0.76 BDKRB1 (0.45) KCNQ1UTS2RYAP1LMNAGAA

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