SCHEMBL14568682

SCHEMBL14568682

CN(C)CCN(CCN(C)C)CCN(CCN(C)C)CCN(CCN(CCN(C)C)CCN(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)CCN(CCN(C)C)CCN(CCN(C)C)CCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LMNA P02545 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CA1 P00915 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL14029335 0.96 LMNA (0.43) MEN1KMT2ACA12CA2CA9
SCHEMBL14029328 0.94 MEN1 (0.48) MEN1KMT2ACA12CA2CA9
SCHEMBL25477638 0.92 CA12 (0.50) MEN1KMT2ACA12CA2CA9
SCHEMBL15965462 0.85 MEN1 (0.58) MEN1KMT2ACA12CA2CA9
SCHEMBL24343853 0.85 MEN1 (0.58) MEN1KMT2ACA12CA2CA9
SCHEMBL8061825 0.85 TSHR (0.53) MEN1KMT2ACA12CA2CA9
Di(Hydroxyethyl)Ether SCHEMBL20572831 0.84 TSHR (0.46) MEN1KMT2ACA12CA2CA9
SCHEMBL9828694 0.83 TSHR (0.56) MEN1KMT2ACA12CA2CA9
SCHEMBL17598907 0.83 TSHR (0.56) MEN1KMT2ACA12CA2CA9
SCHEMBL232568 0.81 MEN1 (0.58) MEN1KMT2ACA12CA2CA9

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
US-20070068557-A1 Polymer systems and cleaning compositions comprising same ORTIZ RAFAEL 2007-03-29 US disclosed