SCHEMBL11277779

SCHEMBL11277779

C#CC(OC(=O)C(C(C)C)C(C=C(Cl)Cl)CC)c1cccc(Oc2ccc(OCC)cc2)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.33
ACACB O00763 7/20 0.31
CYP2C9 P11712 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
SCHEMBL11281566 0.93 P2RX3 (0.33)
SCHEMBL11270316 0.93 ADAMTS4 (0.34) ADAMTS4ACACBCYP2C9
SCHEMBL11275008 0.93 ADAMTS4 (0.31) ADAMTS4ACACB
SCHEMBL11281447 0.92 MEN1 (0.32)
SCHEMBL11270904 0.91 ADAMTS4 (0.33) ADAMTS4ACACB
SCHEMBL11271561 0.91 ADAMTS4 (0.33) ADAMTS4ACACBCYP2C9
SCHEMBL11275520 0.84 CARM1 (0.31)
SCHEMBL11275383 0.84 P2RX3 (0.34)
SCHEMBL11273053 0.84 ADAMTS4 (0.32) ADAMTS4ACACBCYP2C9
SCHEMBL11280511 0.84 ADAMTS4 (0.34) 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