SCHEMBL11273053

SCHEMBL11273053

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.32
ACACB O00763 4/20 0.32
CYP2C9 P11712 1/20 0.31
ACACA Q13085 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
SCHEMBL11276202 0.92 P2RX3 (0.34)
SCHEMBL11274780 0.92 ALDH1A1 (0.31) ADAMTS4
SCHEMBL11267667 0.91 MEN1 (0.33) ADAMTS4ACACBACACA
SCHEMBL11280442 0.91 MEN1 (0.33)
SCHEMBL11270316 0.85 ADAMTS4 (0.34) ADAMTS4ACACBCYP2C9ACACA
SCHEMBL11271561 0.84 ADAMTS4 (0.33) ADAMTS4ACACBCYP2C9
SCHEMBL11277779 0.84 ADAMTS4 (0.33) ADAMTS4ACACBCYP2C9
SCHEMBL11283946 0.84 P2RX3 (0.35)
SCHEMBL11275592 0.83 CARM1 (0.32)
SCHEMBL11275922 0.83 SCN9A (0.32)

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