SCHEMBL28840647

SCHEMBL28840647

CCCCCCCCC(CCC)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CETP P11597 3/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIRT2 Q8IXJ6 6/20 0.47
SIRT1 Q96EB6 4/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR2 P34972 1/20 0.47
SIRT3 Q9NTG7 3/20 0.47

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
SCHEMBL27573384 1.00 CA1 (0.55) CA1CA2CETPALDH1A1CYP3A4
SCHEMBL2837313 1.00 CA1 (0.55) CA1CA2CETPALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL28380114 0.99 CA1 (0.53) CA1CA2CETPALDH1A1CYP3A4
SCHEMBL22501953 0.98 CA1 (0.56) CA1CA2CETPALDH1A1CYP3A4
SCHEMBL19024775 0.97 CETP (0.54) CA1CA2CETPALDH1A1CYP3A4
SCHEMBL19024799 0.97 CETP (0.54) CA1CA2CETPALDH1A1CYP3A4
SCHEMBL19024795 0.97 CETP (0.54) CA1CA2CETPALDH1A1CYP3A4
SCHEMBL19024834 0.97 CETP (0.54) CA1CA2CETPALDH1A1CYP3A4
SCHEMBL19024919 0.97 CETP (0.54) CA1CA2CETPALDH1A1CYP3A4
SCHEMBL19024672 0.97 CETP (0.54) CA1CA2CETPALDH1A1CYP3A4

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-115052627-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2022-09-13 CN disclosed