SCHEMBL8465433

SCHEMBL8465433

CCCCCCCCCCOc1cc(C(=O)c2c(Cl)cccc2Cl)c(C)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.47
PDE4B Q07343 4/20 0.46
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
PTPN1 P18031 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDE4A P27815 2/20 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
SCHEMBL8466704 1.00 SMPD1 (0.47) SMPD1PDE4BTHRATHRBPTPN1
SCHEMBL8463681 1.00 SMPD1 (0.47) SMPD1PDE4BTHRATHRBPTPN1
SCHEMBL8466653 1.00 SMPD1 (0.47) SMPD1PDE4BTHRATHRBPTPN1
SCHEMBL8464014 0.99 SMPD1 (0.46) SMPD1PDE4BTHRATHRBPTPN1
SCHEMBL8466199 0.95 PDE4B (0.45) SMPD1PDE4BHPGDL3MBTL1CYP3A4
SCHEMBL8463650 0.92 PDE4B (0.43) PDE4BHPGDL3MBTL1LMNACYP3A4
SCHEMBL8463397 0.87 TSHR (0.45) THRBHPGDL3MBTL1LMNACYP3A4
SCHEMBL6150594 0.85 CES2 (0.48) LMNACYP3A4KMT2APDE4D
SCHEMBL8467299 0.84 HTT (0.41) HPGDL3MBTL1LMNACYP3A4MAPT
SCHEMBL9019424 0.83 PDE4B (0.44) SMPD1PDE4BTHRATHRBHPGD

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