SCHEMBL21020709

SCHEMBL21020709

CCc1ccc(C2C(c3ccc(C(C)F)c(F)c3)C2(C)Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33

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
SCHEMBL21021542 0.81 SLC9A1 (0.37) SLC9A1
SCHEMBL21021762 0.80 SLC9A1 (0.32) SLC9A1
SCHEMBL20076684 0.79 SLC9A1 (0.38) SLC9A1
SCHEMBL21021905 0.77 RXRA (0.32) SLC9A1
SCHEMBL21021588 0.77 SLC5A2 (0.35) SLC9A1
SCHEMBL19121582 0.75 PTGS1 (0.39) PTGS1PTGS2
SCHEMBL21021684 0.74 TSHR (0.31) SLC9A1
SCHEMBL20076455 0.73 SLC5A2 (0.34) SLC9A1PTGS1PTGS2
SCHEMBL21022090 0.72 CNR2 (0.40) SLC9A1
SCHEMBL20076689 0.71 NPSR1 (0.33)

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed