SCHEMBL2363080

SCHEMBL2363080

C=CCC(O)(CCCCC)C(=O)O.C=CCC(OCCC(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
PLA2G2C Q5R387 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16859599 0.84
SCHEMBL273058 0.80 TDP1 (0.42) ALDH1A1TDP1
SCHEMBL486435 0.78 GAA (0.40) ALDH1A1TDP1KMT2A
SCHEMBL31352614 0.77 TDP1 (0.62) ALDH1A1PLA2G2CTDP1HSD17B10
SCHEMBL5606749 0.77 FDPS (0.39)
SCHEMBL8771137 0.77 FDPS (0.39)
SCHEMBL28237464 0.76 TSHR (0.41) ALDH1A1PLA2G2CTDP1HPGD
Glycolic Acid SCHEMBL31039842 0.75 TDP1 (0.39) TDP1
SCHEMBL21802019 0.74 KMT2A (0.39) ALDH1A1TDP1HPGDKMT2A
SCHEMBL3628603 0.72 L3MBTL1 (0.38) ALDH1A1TDP1MEN1KMT2A

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
WO-2011101181-A1 PERFUME COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2011-08-25 WO disclosed