SCHEMBL8463397

SCHEMBL8463397

CCOc1cc(C(=O)c2c(Cl)cccc2Cl)c(C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.44
RORC P51449 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
THRB P10828 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ELANE P08246 1/20 0.39
KLK7 P49862 1/20 0.39
KLK14 Q9P0G3 1/20 0.39
KLK5 Q9Y337 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6150594 0.91 CES2 (0.48) TSHRRORCCES2CES1LMNA
SCHEMBL8463650 0.90 PDE4B (0.43) RORCCES2CES1LMNARAB9A
SCHEMBL8466199 0.89 PDE4B (0.45) MAPK1RORCCES2CES1RAB9A
SCHEMBL8464014 0.88 SMPD1 (0.46) LMNATHRBRAB9ANPC1SMN1; SMN2
SCHEMBL8465433 0.87 SMPD1 (0.47) LMNATHRBCYP3A4L3MBTL1MAPT
SCHEMBL8463681 0.87 SMPD1 (0.47) LMNATHRBCYP3A4L3MBTL1MAPT
SCHEMBL8466704 0.87 SMPD1 (0.47) LMNATHRBCYP3A4L3MBTL1MAPT
SCHEMBL8466653 0.87 SMPD1 (0.47) LMNATHRBCYP3A4L3MBTL1MAPT
SCHEMBL8499862 0.86 RORC (0.40) TSHRRORCCES2CES1LMNA
SCHEMBL8466614 0.86 PDE4B (0.44) RORCCES2CES1LMNARAB9A

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