SCHEMBL28023161

SCHEMBL28023161

CCC(CC)(CC)C(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 5/20 0.36
LMNA P02545 4/20 0.36
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
CYP2D6 P10635 4/20 0.35
CYP1A2 P05177 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HIF1A Q16665 3/20 0.33
CYP2C19 P33261 2/20 0.33
GMNN O75496 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 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
SCHEMBL120587 0.98 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL3745174 0.85 ALDH1A1 (0.48) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL42853 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL9615611 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL12077087 0.82 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL544775 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL21067072 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL27657762 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL242272 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL8204587 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ELMNATSHRMAPT

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-104893593-A Textile adhesive QINGDAO DONGCHANGRUI TEXTILES CO LTD 2015-09-09 CN disclosed