SCHEMBL28544647

SCHEMBL28544647

CCCCCCCCCCCCC(CC=O)(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.40
EGFR P00533 1/20 0.40
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
HTT P42858 2/20 0.40
NAAA Q02083 1/20 0.39
KIF11 P52732 1/20 0.38
LMNA P02545 1/20 0.38
EPHX1 P07099 2/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL5385328 0.87 ALDH1A1 (0.49) ALDH1A1TSHRGAASCN5ASCN9A
SCHEMBL11305185 0.87 ALDH1A1 (0.49) ALDH1A1TSHRGAASCN5ASCN9A
SCHEMBL10869954 0.87 ALDH1A1 (0.49) ALDH1A1TSHRGAASCN5ASCN9A
SCHEMBL355604 0.87 ALDH1A1 (0.49) ALDH1A1TSHRGAASCN5ASCN9A
SCHEMBL28570454 0.87 ALDH1A1 (0.49) ALDH1A1TSHRGAASCN5ASCN9A
SCHEMBL6406725 0.87 ALDH1A1 (0.69) ALDH1A1TSHRGAAEGFRSCN5A
SCHEMBL28018022 0.85 ALDH1A1 (0.47) ALDH1A1TSHRGAASCN5ASCN9A
SCHEMBL17749017 0.85 ALDH1A1 (0.50) ALDH1A1TSHRGAASCN5ASCN9A
SCHEMBL8905259 0.84 ALDH1A1 (0.46) ALDH1A1TSHRGAAEGFRSCN5A
SCHEMBL8905573 0.84 ALDH1A1 (0.46) ALDH1A1TSHRGAAEGFRSCN5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574028-B Extractant, preparation method and method for separating rare earth yttrium from lanthanide series 福建省长汀金龙稀土有限公司 2023-09-26 CN disclosed
CN-112574028-A Extracting agent, preparation method thereof and method for separating rare earth element yttrium from lanthanide 厦门钨业股份有限公司 2021-03-30 CN disclosed