SCHEMBL28283448

SCHEMBL28283448

CCC(=O)c1c(O)cccc1O.c1cc2ccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP3A4 P08684 1/20 0.55
PTGS1 P23219 1/20 0.55
DRD3 P35462 1/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
ATM Q13315 1/20 0.55
CA9 Q16790 5/20 0.52
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 4/20 0.52
CA14 Q9ULX7 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
THRB P10828 1/20 0.50
PTPN1 P18031 3/20 0.48
ACHE P22303 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
SCHEMBL2989475 0.94 MEN1 (0.61) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL10158530 0.82 CA9 (0.55) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL10878661 0.82 CA9 (0.50) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL24451122 0.80 CA9 (0.48) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL12780415 0.80 CA9 (0.48) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL19605665 0.77 BID (0.55) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL28206869 0.77 ERN1 (0.50) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL28206890 0.77 PTPN1 (0.57) KMT2ACYP3A4MAPTALDH1A1HTT
SCHEMBL4181492 0.77 ALDH1A1 (0.72) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL24450915 0.76 CA9 (0.44) MEN1KMT2ACYP3A4PTGS1DRD3

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-109562033-A Cosmetic preparation for hair 花王株式会社 2019-04-02 CN disclosed
CN-109562034-A Hair cosmetic composition 花王株式会社 2019-04-02 CN disclosed