SCHEMBL9458694

SCHEMBL9458694

Fc1ccc(Oc2ccc(C3(Cn4cncn4)OCCCO3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C9 P11712 6/20 0.40
CYP3A4 P08684 6/20 0.40
CYP2D6 P10635 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP19A1 P11511 2/20 0.37
S1PR1 P21453 4/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 2/20 0.34
HPGD P15428 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9458316 0.95 HSP90AA1 (0.43) HSP90AA1NPSR1CYP2C9CYP3A4CYP2D6
SCHEMBL9457894 0.89 ALDH1A1 (0.44) HSP90AA1NPSR1CYP2C9CYP3A4CYP1A2
SCHEMBL11547359 0.88 HSP90AA1 (0.48) HSP90AA1NPSR1CYP2C9CYP3A4CYP2D6
SCHEMBL9457977 0.84 KDM4E (0.46) HSP90AA1NPSR1CYP2C9CYP3A4CYP1A2
SCHEMBL11542005 0.84 ALDH1A1 (0.48) HSP90AA1NPSR1CYP3A4CYP19A1TSHR
SCHEMBL11544728 0.80 HSP90AA1 (0.61) HSP90AA1NPSR1CYP2C9CYP3A4CYP2D6
SCHEMBL11541071 0.80 CYP3A4 (0.50) HSP90AA1NPSR1CYP2C9CYP3A4CYP2D6
SCHEMBL11547879 0.80 GAA (0.49) HSP90AA1NPSR1CYP2C9CYP3A4CYP1A2
SCHEMBL11541496 0.79 ALDH1A1 (0.50) HSP90AA1NPSR1CYP3A4CYP19A1TSHR
SCHEMBL9458451 0.79 CACNA1B (0.42) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A2 Arylphenyl ether derivatives as microbicides, process for their preparation and their application CIBA-GEIGY AG (CH) 1982-11-24 EP disclosed