SCHEMBL11453034

SCHEMBL11453034

Clc1cc(Cl)c(OC2CCCCO2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.36
SLC6A3 Q01959 4/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTPN1 P18031 2/20 0.34
KMT2A Q03164 1/20 0.33
PDE4B Q07343 3/20 0.33
DHFR P00374 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL11464250 0.95 KMT2A (0.37) CSNK2A1ALDH1A1MAPTNPSR1KMT2A
SCHEMBL2646497 0.83 PTPN1 (0.38) CSNK2A1SLC6A3PTPN1KMT2APDE4B
SCHEMBL11455772 0.82 CSNK2A1 (0.43) CSNK2A1SLC6A3ALDH1A1MAPTPDE4B
SCHEMBL13478345 0.82 TSHR (0.38) CSNK2A1SLC6A3ALDH1A1PDE4B
SCHEMBL17370238 0.81 KDM1A (0.33) CSNK2A1PTPN1
SCHEMBL8317291 0.80 CSNK2A1 (0.44) CSNK2A1ALDH1A1MAPTPTPN1PDE4B
SCHEMBL16695147 0.80 LMNA (0.43) CSNK2A1ALDH1A1MAPTNPSR1KMT2A
SCHEMBL7167776 0.80 CSNK2A1 (0.41) CSNK2A1SLC6A3ALDH1A1PTPN1PDE4B
SCHEMBL12429186 0.80 LMNA (0.35) CSNK2A1SLC6A3NPSR1PTPN1KMT2A
SCHEMBL17453392 0.79 CSNK2A1 (0.40) CSNK2A1SLC6A3ALDH1A1PTPN1PDE4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4203998-A Fungicidal use of chloro-substituted phenoxy ethers STAUFFER CHEMICAL CO. (US) 1980-05-20 US disclosed
US-4203998-A Fungicidal use of chloro-substituted phenoxy ethers STAUFFER CHEMICAL CO. (US) 1980-05-20 US disclosed