SCHEMBL28675407

SCHEMBL28675407

CCOC(=O)/C=C/CCCCCCCCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
ALDH1A1 P00352 3/20 0.54
HCAR2 Q8TDS4 1/20 0.43
FAAH O00519 2/20 0.41
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C9 P11712 1/20 0.39
CETP P11597 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TTR P02766 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL30968801 1.00 MAPT (0.60) MAPTALDH1A1HCAR2FAAHCYP3A4
SCHEMBL10027878 0.89 MAPT (0.58) MAPTALDH1A1HCAR2FAAHCYP3A4
SCHEMBL10027885 0.89 MAPT (0.58) MAPTALDH1A1HCAR2FAAHCYP3A4
SCHEMBL16852835 0.86 MAPT (0.58) MAPTALDH1A1HCAR2CYP3A4TSHR
SCHEMBL7148317 0.84 HCAR2 (0.54) MAPTHCAR2FAAH
SCHEMBL30563965 0.84 HCAR2 (0.54) MAPTHCAR2FAAH
SCHEMBL10027889 0.83 MAPT (0.55) MAPTALDH1A1HCAR2FAAHCYP3A4
SCHEMBL1468542 0.82 MAPT (0.68) MAPTALDH1A1HCAR2FAAHALOX15
SCHEMBL11795363 0.82 MAPT (0.68) MAPTALDH1A1HCAR2FAAHALOX15
SCHEMBL873713 0.82 MAPT (0.68) MAPTALDH1A1HCAR2FAAHALOX15

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-113527420-A Antibacterial calcium-dependent antibiotic (CDA) analogs and methods of treating bacterial infections 香港大学 2021-10-22 CN disclosed