SCHEMBL13313738

SCHEMBL13313738

CCC(C)(C)C(=O)c1cccc(C(=O)C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ DBH P09172 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ACHE P22303 2/20 0.41
▸ SLC6A2 P23975 5/20 0.40
▸ SLC6A3 Q01959 4/20 0.40
▸ HRH1 P35367 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ CHRNA1 P02708 2/20 0.40
▸ CHRNG P07510 2/20 0.40
▸ CHRNB1 P11230 2/20 0.40
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ CHRND Q07001 2/20 0.40
▸ ITGA5 P08648 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL21186726 0.88 ACHE (0.46) ACHESMN1; SMN2RIPK1
SCHEMBL10046304 0.88 ACHE (0.39) GAAACHESLC6A2SLC6A3HRH1
SCHEMBL19339331 0.83 GAA (0.47) GAAKDM4EDBHRECQLACHE
SCHEMBL13334393 0.83 ACHE (0.42) ACHESMN1; SMN2RIPK1
SCHEMBL12948131 0.83 KDM4E (0.43) GAAKDM4EDBHRECQLHRH1
SCHEMBL12948133 0.82 GAA (0.41) GAAKDM4EDBHRECQLACHE
SCHEMBL13785367 0.81 GAA (0.46) GAAKDM4EDBHRECQLACHE
SCHEMBL17286081 0.81 ALDH1A1 (0.42) GAAACHECYP2C19SMN1; SMN2ALDH1A1
SCHEMBL12508632 0.81 ACHE (0.41) ACHESMN1; SMN2RIPK1
SCHEMBL7945435 0.80 GAA (0.59) GAAKDM4EDBHRECQLACHE

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-7737198-B2 Wholly aromatic liquid crystal polyester resin molded product NIPPON OIL CORPORATION (JP) 2010-06-15 — — US disclosed
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