SCHEMBL8465351

SCHEMBL8465351

COc1cc(C)c(C(=O)c2c(Cl)cccc2Cl)c(OCc2ccccc2)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
ADCYAP1R1 P41586 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 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
SCHEMBL7517816 0.96 ADCYAP1R1 (0.46) PDE4DPDE4APDE4BPDE4CADCYAP1R1
SCHEMBL7602839 0.90 ALDH1A1 (0.42) ADCYAP1R1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6693650 0.90 PDE4A (0.52) PDE4DPDE4APDE4BPDE4CMRGPRX4
SCHEMBL7521268 0.88 ATM (0.43) PDE4DPDE4APDE4BPDE4CADCYAP1R1
SCHEMBL7523289 0.87 THRA (0.43) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL7524004 0.87 ALDH1A1 (0.42) ADCYAP1R1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6149532 0.86 TUBB4A (0.40) PDE4DSMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL6148942 0.85 TUBB4A (0.44) SMN1; SMN2ALDH1A1NPSR1KDM4ETUBB4A
SCHEMBL6691257 0.85 MAPT (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL8466591 0.84 TUBB4A (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1

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
EP-0727141-A2 Fungicidal methods, compounds and compositions containing benzophenones American Cyanamid Company (US) 1996-08-21 EP claimed
US-5922919-A Fungicidal methods, compounds and compositions containing benzophenones AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
US-5866722-A Fungicidal methods compounds and compositions containing benzophenones AMERICAN CYANAMID COMPANY (US) 1999-02-02 US disclosed
US-5679866-A CONTROLLING POWDERY MELDEW DISEASES AMERICAN CYANAMID COMPANY (US) 1997-10-21 US disclosed
EP-0727141-A2 Fungicidal methods, compounds and compositions containing benzophenones American Cyanamid Company (US) 1996-08-21 EP disclosed