SCHEMBL28847799

SCHEMBL28847799

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CA1 P00915 2/20 0.48
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
SLC15A2 Q16348 1/20 0.42
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM1A O60341 1/20 0.35
TRPA1 O75762 1/20 0.33
BLM P54132 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31

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
SCHEMBL14350722 0.89 CA1 (0.57) ALDH1A1CA1TDP1TRPA1BLM
SCHEMBL11257607 0.87 CA1 (0.50) ALDH1A1CA1TDP1KDM4EKDM6B
SCHEMBL110531 0.87 CA1 (0.60) ALDH1A1CA1TDP1TRPA1BLM
SCHEMBL8005447 0.86 CA1 (0.44) ALDH1A1CA1TDP1LMNASLC15A2
SCHEMBL1462670 0.86 CA1 (0.44) ALDH1A1CA1TDP1LMNASLC15A2
SCHEMBL7900855 0.84 ALDH1A1 (0.43) ALDH1A1CA1TDP1LMNASLC15A2
SCHEMBL35996 0.84
SCHEMBL7541851 0.84
SCHEMBL3790342 0.84 CA1 (0.57) ALDH1A1CA1TDP1LMNASLC15A2
SCHEMBL842034 0.81

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-115124053-A Method for extracting and preparing lithium product from lepidolite by adopting composite adsorption resin 浙江新锂想科技有限责任公司 2022-09-30 CN disclosed