SCHEMBL11270904

SCHEMBL11270904

CCOc1ccc(Oc2cccc(C(C#N)OC(=O)C(C(C)C)C(C=C(Cl)Cl)CC)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACACB O00763 7/20 0.31
P2RX3 P56373 3/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 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) P2RX3
SCHEMBL11280511 0.93 ADAMTS4 (0.34) ADAMTS4MEN1GAAKMT2ASMN1; SMN2
SCHEMBL11279077 0.93 ALDH1A1 (0.36) ADAMTS4MEN1GAAKMT2ASMN1; SMN2
SCHEMBL11275829 0.92 P2RX3 (0.33) MEN1KMT2AP2RX3ALDH1A1TDP1
SCHEMBL11277779 0.91 ADAMTS4 (0.33) ADAMTS4ACACB
SCHEMBL11279224 0.91 ADAMTS4 (0.33) ADAMTS4MEN1GAAKMT2ASMN1; SMN2
SCHEMBL11281400 0.84 CHRNB2 (0.33) ADAMTS4
SCHEMBL11274600 0.84 CARM1 (0.31)
SCHEMBL11281566 0.84 P2RX3 (0.33) MEN1KMT2AP2RX3
SCHEMBL11275008 0.84 ADAMTS4 (0.31) ADAMTS4ACACB

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