SCHEMBL21021332

SCHEMBL21021332

C=C(C)C1C(c2cc(C)cc(Cl)c2)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.46
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31

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
SCHEMBL20076360 0.86 SLC9A1 (0.38) SLC9A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL21021619 0.84 SLC9A1 (0.33) SLC9A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL21021786 0.84 SLC9A1 (0.36) SLC9A1
SCHEMBL20076553 0.83 SLC9A1 (0.35) SLC9A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL21022037 0.79 SLC9A1 (0.42) SLC9A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL21022173 0.76 SLC9A1 (0.35) SLC9A1
SCHEMBL21021075 0.75 SLC9A1 (0.37) SLC9A1
SCHEMBL21020715 0.75 SLC9A1 (0.45) SLC9A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL20076436 0.74 SLC9A1 (0.36) SLC9A1
SCHEMBL20076773 0.74 SLC9A1 (0.36) SLC9A1

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