SCHEMBL9458082

SCHEMBL9458082

OCC1COC(Cn2ccnc2)(c2ccc(Oc3ccc(F)cc3)cc2)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.41
CYP19A1 P11511 9/20 0.41
CYP21A2 P08686 8/20 0.41
CYP17A1 P05093 7/20 0.41
CYP11B1 P15538 6/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
SLC22A1 O15245 1/20 0.41
ABCC4 O15439 1/20 0.41
CYP27B1 O15528 1/20 0.41
CYP26A1 O43174 1/20 0.41
NR1I2 O75469 1/20 0.41
GMNN O75496 1/20 0.41
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9457891 0.91 CYP3A4 (0.42) CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1
SCHEMBL10498940 0.87 CYP3A4 (0.41) CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1
SCHEMBL10498950 0.87 CYP3A4 (0.41) CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1
SCHEMBL9489027 0.87 CYP3A4 (0.44) CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1
SCHEMBL9489020 0.87 CYP3A4 (0.44) CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1
SCHEMBL9489013 0.87 CYP3A4 (0.44) CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1
SCHEMBL9489858 0.85 ALDH1A1 (0.48) CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1
SCHEMBL10564539 0.84 ADRA1A (0.49) CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1
SCHEMBL10564528 0.84 ADRA1A (0.49) CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1
SCHEMBL6967483 0.83 CYP3A4 (0.49) CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1

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