SCHEMBL631041

SCHEMBL631041

CC(C)Oc1ccc(C[C@H](NC(=O)O[C@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 1/20 0.40
KCNQ1 P51787 1/20 0.38
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.35
FKBP1A P62942 1/20 0.35
FKBP4 Q02790 1/20 0.35
FKBP5 Q13451 1/20 0.35
MMP1 P03956 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ADAM17 P78536 1/20 0.35
F10 P00742 2/20 0.34
ST14 Q9Y5Y6 2/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL631450 0.91 KCNQ1 (0.36) KCNQ1L3MBTL1KMT2AFKBP1AFKBP4
SCHEMBL1383737 0.90 KCNQ1 (0.45) ELOVL6KCNQ1TSHRL3MBTL1FKBP1A
SCHEMBL630110 0.90 KCNQ1 (0.45) ELOVL6KCNQ1TSHRL3MBTL1FKBP1A
SCHEMBL10287283 0.83 ELOVL6 (0.41) ELOVL6KCNQ1TSHRL3MBTL1KMT2A
SCHEMBL630706 0.82 KCNQ1 (0.46) KCNQ1TSHRKMT2AFKBP1AFKBP4
SCHEMBL13225535 0.81 ITGB1 (0.42) ELOVL6KCNQ1FKBP1AFKBP4FKBP5
SCHEMBL631253 0.81 BDKRB1 (0.42) KCNQ1
SCHEMBL630003 0.81 KCNQ1 (0.43) KCNQ1TSHRFKBP1AFKBP4FKBP5
SCHEMBL631034 0.79 KCNQ1 (0.44) KCNQ1KMT2AF10ST14F2
SCHEMBL630287 0.79 KCNQ1 (0.39) KCNQ1TSHRKMT2AFKBP1AFKBP4

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