SCHEMBL630706

SCHEMBL630706

COc1ccc(C[C@H](NC(=O)O[C@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)C(=O)NC2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.46
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FKBP1A P62942 2/20 0.39
FKBP4 Q02790 1/20 0.39
FKBP5 Q13451 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSMB8 P28062 1/20 0.39

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
SCHEMBL630287 0.92 KCNQ1 (0.39) KCNQ1KMT2AGAAALDH1A1TSHR
SCHEMBL631050 0.91 KCNQ1 (0.47) KCNQ1KMT2AGAAALDH1A1TSHR
SCHEMBL630207 0.89 KCNQ1 (0.54) KCNQ1KMT2AGAATSHRFKBP1A
SCHEMBL1382042 0.89 KCNQ1 (0.54) KCNQ1KMT2AGAATSHRFKBP1A
SCHEMBL631253 0.85 BDKRB1 (0.42) KCNQ1POLB
SCHEMBL630021 0.83 KCNQ1 (0.44) KCNQ1GAAALDH1A1TSHRPOLB
SCHEMBL631193 0.83 MEN1 (0.47) KCNQ1KMT2APOLBFKBP1ASMN1; SMN2
SCHEMBL631041 0.82 ELOVL6 (0.40) KCNQ1KMT2AGAAALDH1A1TSHR
SCHEMBL629881 0.82 KCNQ1 (0.46) KCNQ1KMT2AGAATSHRFKBP1A
SCHEMBL1381634 0.82 KCNQ1 (0.46) KCNQ1KMT2AGAATSHRFKBP1A

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