SCHEMBL30611136

SCHEMBL30611136

CC1COC(Cn2cnnc2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.47
THRB P10828 1/20 0.47
CYP21A2 P08686 9/20 0.42
CYP19A1 P11511 8/20 0.42
CYP17A1 P05093 8/20 0.42
CYP11B1 P15538 7/20 0.42
USP2 O75604 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NR1I2 O75469 2/20 0.42
LMNA P02545 2/20 0.42
HSP90AA1 P07900 2/20 0.42
CHRM2 P08172 2/20 0.42
ADRA2A P08913 2/20 0.42
TSHR P16473 2/20 0.42
ADRA2B P18089 2/20 0.42
SLC6A2 P23975 2/20 0.42
HTR2A P28223 2/20 0.42

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
SCHEMBL21887073 1.00 CYP3A4 (0.47) CYP3A4THRBCYP21A2CYP19A1CYP17A1
SCHEMBL24061653 0.89 HMOX1 (0.54) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Difenoconazole SCHEMBL22126 0.85 CYP3A4 (0.68) CYP3A4THRBCYP21A2CYP19A1CYP17A1
Difenoconazole SCHEMBL3015472 0.85 CYP3A4 (0.68) CYP3A4THRBCYP21A2CYP19A1CYP17A1
Difenoconazole SCHEMBL29393627 0.85 CYP3A4 (0.68) CYP3A4THRBCYP21A2CYP19A1CYP17A1
Difenoconazole SCHEMBL15932941 0.85 CYP3A4 (0.68) CYP3A4THRBCYP21A2CYP19A1CYP17A1
Difenoconazole SCHEMBL15932554 0.85 CYP3A4 (0.68) CYP3A4THRBCYP21A2CYP19A1CYP17A1
Difenoconazole SCHEMBL20654517 0.85 CYP3A4 (0.68) CYP3A4THRBCYP21A2CYP19A1CYP17A1
Difenoconazole SCHEMBL22125 0.85 CYP3A4 (0.68) CYP3A4THRBCYP21A2CYP19A1CYP17A1
Difenoconazole SCHEMBL29366085 0.85 CYP3A4 (0.68) CYP3A4THRBCYP21A2CYP19A1CYP17A1

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
CN-116903448-A Method for preparing 3,4' -dichloro diphenyl ether by using difenoconazole waste 浙江宇龙生物科技股份有限公司 2023-10-20 CN claimed
CN-116903448-A Method for preparing 3,4' -dichloro diphenyl ether by using difenoconazole waste 浙江宇龙生物科技股份有限公司 2023-10-20 CN disclosed