SCHEMBL22019055

SCHEMBL22019055

CCCCC(C)C(C)C(N)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
SPHK1 Q9NYA1 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TP53 P04637 2/20 0.34
METAP1 P53582 1/20 0.34
SLC15A1 P46059 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2416094 0.85 OPRM1 (0.46) OPRM1ALDH1A1TDP1SPHK1CA1
SCHEMBL21283094 0.85 METAP1 (0.46) OPRM1METAP1TSHR
SCHEMBL3141119 0.80 OPRM1 (0.46) OPRM1ALDH1A1TDP1SPHK1CA1
SCHEMBL7554563 0.78 OPRM1 (0.56) OPRM1SPHK1CA1TP53CYP3A4
SCHEMBL22239267 0.77 OPRM1 (0.39) OPRM1ALDH1A1TDP1SPHK1CA1
SCHEMBL12005838 0.77 ALDH1A1 (0.39) OPRM1ALDH1A1TDP1CA1CA2
SCHEMBL1556477 0.77 OPRM1 (0.48) OPRM1ALDH1A1TDP1SPHK1CA1
SCHEMBL24828794 0.76 METAP1 (0.31) ALDH1A1METAP1TSHR
SCHEMBL21660331 0.76 OPRM1 (0.54) OPRM1SPHK1TP53CYP3A4CYP2D6
SCHEMBL8604438 0.76 OPRM1 (0.54) OPRM1SPHK1TP53CYP3A4CYP2D6

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
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed