SCHEMBL9622239

SCHEMBL9622239

NCCOc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.61
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR4 O95977 1/20 0.38
TTR P02766 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
Hydrochloric Acid SCHEMBL10442699 0.98 PLAU (0.59) PLAUMAPTTDP1CA1CA2
SCHEMBL7968847 0.85 PLAU (0.47) PLAUMAPTTDP1CA1CA2
SCHEMBL22794262 0.85 PLAU (0.47) PLAUMAPTTDP1CA1CA2
SCHEMBL2067285 0.79 TP53 (0.49) PLAUTTRKDM4ETAAR1
SCHEMBL9348258 0.79 MAPT (0.46) PLAUMAPTTDP1CA1CA2
SCHEMBL9349699 0.77 MAPT (0.45) PLAUMAPTTDP1CA1CA2
SCHEMBL13261204 0.77 MAPT (0.49) PLAUMAPTTDP1CA1CA2
SCHEMBL9324460 0.77 MAPT (0.45) PLAUMAPTTDP1CA1CA2
SCHEMBL8920540 0.77 MAPT (0.45) PLAUMAPTTDP1CA1CA2
SCHEMBL10927084 0.77 PLAU (0.52) PLAUL3MBTL1KDM4ETAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403929-A3 A METHOD OF PREPARING PHENOXY ETHERS FOR USE AS AGROCHEMICAL INTERMEDIATES MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1992-02-26 EP disclosed
EP-0404092-A3 A NOVEL METHOD OF PREPARING PHENOXY ETHERS FOR USE AS AGROCHEMICAL INTERMEDIATES MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1992-02-12 EP disclosed
EP-0403952-A2 An environmentally safe method of preparing a certain dialkylamine MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1990-12-27 EP disclosed
EP-0404092-A2 A novel method of preparing phenoxy ethers for use as agrochemical intermediates MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1990-12-27 EP disclosed
EP-0404092-A2 A novel method of preparing phenoxy ethers for use as agrochemical intermediates MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1990-12-27 EP disclosed
EP-0403929-A2 A method of preparing phenoxy ethers for use as agrochemical intermediates MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1990-12-27 EP disclosed
EP-0403929-A2 A method of preparing phenoxy ethers for use as agrochemical intermediates MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1990-12-27 EP disclosed
US-4892952-A Substituted heteroaralkyl, heteroaralkenyl or halomethyl fungicides CHEVRON RESEARCH COMPANY (US) 1990-01-09 US disclosed
US-4588735-A Fungicidal (trihalophenoxy or trihalophenthio) alkylaminoalkyl pyridines and pyrroles CHEVRON RESEARCH COMPANY (US) 1986-05-13 US disclosed