SCHEMBL20076824

SCHEMBL20076824

CC(C)(F)c1cc(Cl)cc(C2C(C(=O)O)C2(Cl)Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.38
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
HTT P42858 4/20 0.34
ALDH1A1 P00352 3/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL18144271 0.89 FFAR4 (0.42) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL18144275 0.89 FFAR4 (0.42) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL21586664 0.89 FFAR4 (0.42) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL18144272 0.89 FFAR4 (0.42) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL18143826 0.82 SLC9A1 (0.47) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL18147577 0.82 SLC9A1 (0.47) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL18147579 0.82 SLC9A1 (0.47) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL21587435 0.82 SLC9A1 (0.47) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL18143821 0.82 SLC9A1 (0.47) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL18143824 0.82 SLC9A1 (0.47) SLC9A1MEN1KMT2AHTTALDH1A1

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed