SCHEMBL21021685

SCHEMBL21021685

Cc1cc(Cl)cc(C2CC2(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
SLC9A1 P19634 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32

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
SCHEMBL15800769 0.72 HTR2C (0.37) MGLLSLC6A2SLC6A3
SCHEMBL4339855 0.70 KDM1A (0.53) KDM1ARCOR1
SCHEMBL25047771 0.69 NR1I2 (0.36) MGLLSLC6A2SLC6A3
SCHEMBL22054999 0.69 HTR2C (0.35) MGLLSLC6A2SLC6A3
SCHEMBL21021332 0.68 SLC9A1 (0.46) SLC9A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL20358034 0.68 NR1I2 (0.39) MGLLSLC6A2SLC6A3
SCHEMBL20076360 0.67 SLC9A1 (0.38) SLC9A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL20707753 0.67 MAOB (0.45) KDM1ASLC6A2SLC6A3
SCHEMBL18154015 0.67 TSHR (0.40) KDM1ARCOR1SLC9A1
SCHEMBL28203793 0.67 TSHR (0.40) KDM1ARCOR1SLC9A1

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