SCHEMBL4786956

SCHEMBL4786956

ClC(Cl)(Cl)C#COc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
LTA4H P09960 1/20 0.36
CA4 P22748 1/20 0.33
KCNA3 P22001 1/20 0.31
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL8975591 0.77 CA4 (0.39) TSHRLTA4HCA4KCNA3CA5A
SCHEMBL20718949 0.77 TSHR (0.36) TSHRLTA4HCA4KCNA3CA5A
SCHEMBL9421959 0.77 LTA4H (0.50) TSHRLTA4HCA4KCNA3CA5A
SCHEMBL8214072 0.73 LTA4H (0.41) TSHRLTA4HCA4KCNA3CA5A
SCHEMBL479411 0.69 LTA4H (0.41) TSHRLTA4HCA4KCNA3CA5A
SCHEMBL7391389 0.69 LTA4H (0.41) TSHRLTA4HCA4KCNA3CA5A
SCHEMBL237878 0.69 CA4 (0.43) TSHRLTA4HCA4KCNA3CA5A
SCHEMBL14579482 0.69 LTA4H (0.41) TSHRLTA4HCA4KCNA3CA5A
SCHEMBL11308299 0.67
SCHEMBL2190465 0.67 APP (0.52) TSHRLTA4HCA4KCNA3

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
WO-2008104652-A2 PROCESS FOR SYNTHESIZING POLYHALOPHENOXYALKYL (METH)ACRYLATES ARKEMA FRANCE (FR) 2008-09-04 WO disclosed