SCHEMBL6855553

SCHEMBL6855553

FC1CCN(CCCOCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TEAD3 Q99594 2/20 0.58
▸ LTA4H P09960 1/20 0.57
▸ HRH3 Q9Y5N1 8/20 0.56
▸ TMEM97 Q5BJF2 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51

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
SCHEMBL6942319 0.89 TEAD3 (0.56) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL22440218 0.85 LTA4H (0.77) TEAD3LTA4HHRH3SIGMAR1KDM4E
SCHEMBL8109363 0.85 LTA4H (0.55) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL6947336 0.85 LTA4H (0.55) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL17284609 0.84 LTA4H (0.61) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL6943888 0.84 LTA4H (0.54) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL6947688 0.84 LTA4H (0.54) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL8115844 0.84 LTA4H (0.54) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL7395255 0.83 TEAD3 (0.59) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL21310157 0.82 BCHE (0.55) TEAD3HRH3TMEM97SIGMAR1KDM4E

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
WO-2011096461-A1 QUINOLINE DERIVATIVE 大正製薬株式会社 (JP) 2011-08-11 — — WO disclosed
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