SCHEMBL10583152

SCHEMBL10583152

CCCCN(CCCC)C1(N(CCCC)CCCC)C=CC(C(=O)c2ccccc2)C=C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 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
SCHEMBL156386 0.85 ALDH1A1 (0.39) GAAHPGDCES2CES1KCNH2
SCHEMBL3725073 0.79 KDM4E (0.37) GAAHPGDSLC6A2SLC6A4LMNA
SCHEMBL305024 0.78 ALDH1A1 (0.37) GAAHPGDCES2CES1KCNH2
SCHEMBL5433591 0.75 KCNH2 (0.41) CES2CES1KCNH2LMNANPSR1
SCHEMBL9652766 0.74 POLB (0.36) GAACES2CES1KMT2AALDH1A1
SCHEMBL9652808 0.73 POLB (0.36) GAAHPGDCES2CES1LMNA
SCHEMBL2470208 0.72 EPHX1 (0.43) GAAHPGDCES2CES1KMT2A
SCHEMBL811694 0.72 CES1 (0.41) GAAHPGDCES2CES1LMNA
SCHEMBL10578743 0.72 CES1 (0.37) GAAHPGDCES2CES1KCNH2
SCHEMBL9655941 0.71 AKT1 (0.38) GAAHPGDCES2CES1LMNA

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-0301516-A2 Dental adhesive composition MITSUBISHI RAYON CO., LTD. (JP) 1989-02-01 EP disclosed