SCHEMBL28865014

SCHEMBL28865014

CCCCOC(=O)C(C)=CCC(C)CC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.42
TSHR P16473 4/20 0.41
HPGD P15428 2/20 0.40
HCAR2 Q8TDS4 3/20 0.38
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NAAA Q02083 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
FAAH O00519 1/20 0.33
ESR1 P03372 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL28865010 0.95 TSHR (0.47) ALDH1A1ATMTSHRHCAR2LMNA
SCHEMBL20183940 0.87 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL16826968 0.84 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL16826969 0.84 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL2985786 0.82 TSHR (0.50) ALDH1A1ATMTSHRHCAR2LMNA
SCHEMBL27536508 0.81 TSHR (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL7752796 0.79 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL374983 0.79 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8587018 0.78 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL7087296 0.78 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2

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-111983745-B Optical film, polarizing plate and liquid crystal display device 柯尼卡美能达株式会社 2022-10-21 CN disclosed