SCHEMBL9458577

SCHEMBL9458577

CCC1CCOC(Cn2cncn2)(c2ccc(Oc3ccccc3)cc2)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP3A4 P08684 7/20 0.46
THRB P10828 1/20 0.46
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.38
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
FYN P06241 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 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
SCHEMBL9458028 0.91 HSP90AA1 (0.63) HSP90AA1NPSR1CYP3A4THRBGAA
SCHEMBL9458140 0.88 HSP90AA1 (0.47) HSP90AA1NPSR1CYP3A4THRBGAA
SCHEMBL9458278 0.84 HSP90AA1 (0.74) HSP90AA1NPSR1CYP3A4THRBGAA
SCHEMBL9457977 0.84 KDM4E (0.46) HSP90AA1NPSR1CYP3A4THRBGAA
SCHEMBL9458123 0.83 CYP3A4 (0.67) HSP90AA1NPSR1CYP3A4THRBGAA
SCHEMBL9457894 0.82 ALDH1A1 (0.44) HSP90AA1NPSR1CYP3A4THRBGAA
SCHEMBL9458359 0.82 HSP90AA1 (0.62) HSP90AA1NPSR1CYP3A4THRBGAA
SCHEMBL9457917 0.82 HSP90AA1 (0.57) HSP90AA1NPSR1CYP3A4THRBGAA
SCHEMBL9458158 0.82 HSP90AA1 (0.53) HSP90AA1NPSR1CYP3A4THRBGAA
SCHEMBL9458027 0.80 HSP90AA1 (0.45) HSP90AA1NPSR1CYP3A4THRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266585-A Controlling phytopathogenic microorganisms, fungicides, antimycotics, anticonvulsives and/or anxiolytic agents CIBA-GEIGY CORPORATION (US) 1993-11-30 US claimed
EP-0065485-B1 ARYLPHENYL ETHER DERIVATIVES AS MICROBICIDES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION CIBA-GEIGY AG (CH) 1990-04-18 EP claimed
EP-0065485-A2 Arylphenyl ether derivatives as microbicides, process for their preparation and their application CIBA-GEIGY AG (CH) 1982-11-24 EP claimed
US-5266585-A Controlling phytopathogenic microorganisms, fungicides, antimycotics, anticonvulsives and/or anxiolytic agents CIBA-GEIGY CORPORATION (US) 1993-11-30 US disclosed
EP-0065485-B1 ARYLPHENYL ETHER DERIVATIVES AS MICROBICIDES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION CIBA-GEIGY AG (CH) 1990-04-18 EP disclosed
EP-0065485-A2 Arylphenyl ether derivatives as microbicides, process for their preparation and their application CIBA-GEIGY AG (CH) 1982-11-24 EP disclosed