SCHEMBL28360614

SCHEMBL28360614

CCCCOC(=O)/C=C\C(=O)OCCCC.O=[Sn]

nearest known ligand 0.91

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.91
HCAR2 Q8TDS4 5/20 0.77
MAPT P10636 1/20 0.65
RAB9A P51151 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
TSHR P16473 2/20 0.63
HPGD P15428 1/20 0.63
ALDH1A1 P00352 1/20 0.54
APP P05067 5/20 0.50
NAAA Q02083 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL269917 0.95 ATM (1.00) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL28153 0.95 ATM (1.00) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL28154 0.95 ATM (1.00) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL41998 0.95 ATM (1.00) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL10423863 0.95 ATM (1.00) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL269916 0.93 ATM (0.95) ATMHCAR2MAPTRAB9ANPSR1
Butane SCHEMBL21723575 0.93 ATM (0.95) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL3629098 0.93 ATM (0.95) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4938576 0.93 ATM (0.95) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL29083502 0.93 ATM (0.95) ATMHCAR2MAPTRAB9ANPSR1

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-108214805-B Preparation method of corn straw composite artificial board 兰州理工大学 2020-01-17 CN disclosed