SCHEMBL8466614

SCHEMBL8466614

COc1cc(C)c(C(=O)c2c(Cl)cccc2Cl)cc1OCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
RORC P51449 1/20 0.40
DHODH Q02127 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER1 P34995 2/20 0.36
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL8467299 0.88 HTT (0.41) RORCCES2CES1LMNASMN1; SMN2
SCHEMBL6150594 0.87 CES2 (0.48) RORCCES2CES1LMNASMN1; SMN2
SCHEMBL8463397 0.86 TSHR (0.45) RORCCES2CES1LMNASMN1; SMN2
SCHEMBL8463650 0.84 PDE4B (0.43) PDE4BRORCCES2CES1LMNA
SCHEMBL8466332 0.84 RORC (0.42) PDE4BRORCCES2CES1LMNA
SCHEMBL8466199 0.83 PDE4B (0.45) PDE4BRORCCES2CES1SMN1; SMN2
SCHEMBL8463389 0.83 CYP2B6 (0.47) PDE4BRORCCES2CES1LMNA
SCHEMBL8499862 0.83 RORC (0.40) RORCCES2CES1LMNAGAA
SCHEMBL8464014 0.82 SMPD1 (0.46) PDE4BLMNASMN1; SMN2GAAMAPT
SCHEMBL6307594 0.82 CES2 (0.46) RORCCES2CES1LMNASMN1; SMN2

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
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-5773663-A FOR CONTROL OF PHYTOPATHOGENIC FUNGI IN CROPS AMERICAN CYANAMID COMPANY (US) 1998-06-30 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