SCHEMBL28290403

SCHEMBL28290403

C=CCOC(=O)C(CCCC)(OCC)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NAAA Q02083 1/20 0.31
CASP1 P29466 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL28194306 0.83 TSHR (0.39) ALDH1A1GAATSHRNPSR1MEN1
SCHEMBL8330411 0.77 ALDH1A1 (0.38) ALDH1A1GAATSHRNPSR1MEN1
SCHEMBL28558937 0.77 NAAA (0.40) ALDH1A1GAATSHRNPSR1MEN1
SCHEMBL8330413 0.75 CASP1 (0.37) ALDH1A1GAATSHRNPSR1MEN1
SCHEMBL28570853 0.73 NAAA (0.42) ALDH1A1GAATSHRNPSR1NAAA
SCHEMBL28564478 0.73 CHRM2 (0.39) ALDH1A1GAATSHRNPSR1MEN1
SCHEMBL4325852 0.71 TSHR (0.40) TSHRNAAA
SCHEMBL28123171 0.71 TSHR (0.51) ALDH1A1TSHRMEN1KMT2A
SCHEMBL28558880 0.71 ALDH1A1 (0.43) ALDH1A1GAATSHRNPSR1MEN1
SCHEMBL11650886 0.70 TSHR (0.50) ALDH1A1TSHRMEN1KMT2A

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-109562029-A System for dispensing a cosmetic product 欧莱雅 2019-04-02 CN disclosed