SCHEMBL28633909

SCHEMBL28633909

CN(C)c1cccc(O)c1CCCOc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
KCNA3 P22001 1/20 0.43
MCL1 Q07820 1/20 0.40
LTA4H P09960 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
HTR1B P28222 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
LSS P48449 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL27341878 0.81 SIGMAR1 (0.47) MCL1
SCHEMBL27523521 0.78 MGLL (0.44) MCL1
SCHEMBL27344144 0.76 AOC3 (0.50)
SCHEMBL27345236 0.75 PPARA (0.41)
SCHEMBL27341182 0.74 SIGMAR1 (0.54) MCL1
SCHEMBL27344143 0.74 MPO (0.52) ALDH1A1
SCHEMBL8022507 0.74 LTA4H (0.49) KCNA3MCL1LTA4H
SCHEMBL5134430 0.74 GAA (0.38) MCL1ALDH1A1
SCHEMBL27474264 0.73 MAPT (0.40) MCL1ALDH1A1RECQL
SCHEMBL31121838 0.73 LTA4H (0.51) KCNH2MCL1LTA4HDRD2

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
CN-113429247-A Casting-molded detachable epoxy plastic bonded explosive 中国工程物理研究院化工材料研究所 2021-09-24 CN claimed