SCHEMBL21021333

SCHEMBL21021333

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.42
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 1/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 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
SCHEMBL20076553 0.86 SLC9A1 (0.35) SLC9A1
SCHEMBL21020726 0.85 SLC9A1 (0.43) SLC9A1FFAR4MEN1ALDH1A1RECQL
SCHEMBL18144068 0.77 MEN1 (0.44) SLC9A1FFAR4MEN1ALDH1A1RECQL
SCHEMBL18144069 0.77 MEN1 (0.44) SLC9A1FFAR4MEN1ALDH1A1RECQL
SCHEMBL18144070 0.77 MEN1 (0.44) SLC9A1FFAR4MEN1ALDH1A1RECQL
SCHEMBL21018775 0.77 MEN1 (0.44) SLC9A1FFAR4MEN1ALDH1A1RECQL
SCHEMBL21586978 0.77 MEN1 (0.44) SLC9A1FFAR4MEN1ALDH1A1RECQL
SCHEMBL21021786 0.74 SLC9A1 (0.36) SLC9A1MEN1ALDH1A1RECQLKMT2A
SCHEMBL21018992 0.73 SLC9A1 (0.35) SLC9A1FFAR4
SCHEMBL20076360 0.73 SLC9A1 (0.38) 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