SCHEMBL11279077

SCHEMBL11279077

CCC(C=C(Cl)Cl)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)n1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 3/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADAMTS4 O75173 1/20 0.31
ACACB O00763 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
SCHEMBL11275383 0.93 P2RX3 (0.34)
SCHEMBL11270904 0.93 ADAMTS4 (0.33) ALDH1A1TDP1MEN1GAAKMT2A
SCHEMBL11275829 0.92 P2RX3 (0.33) ALDH1A1TDP1L3MBTL1PPARGMEN1
SCHEMBL11275008 0.91 ADAMTS4 (0.31) L3MBTL1ADAMTS4ACACB
SCHEMBL11277961 0.91 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1PPARGADAMTS4
SCHEMBL11264917 0.89 ALDH1A1 (0.37) ALDH1A1TDP1L3MBTL1PPARG
SCHEMBL11266246 0.88 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1PPARGMEN1
SCHEMBL11274600 0.88 CARM1 (0.31)
SCHEMBL11280511 0.85 ADAMTS4 (0.34) ALDH1A1TDP1L3MBTL1MEN1GAA
SCHEMBL11279224 0.84 ADAMTS4 (0.33) ALDH1A1TDP1MEN1GAAKMT2A

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
US-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed