SCHEMBL5777624

SCHEMBL5777624

O=c1oc(C(F)(F)F)ccc1-c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
SLC9A1 P19634 1/20 0.35
PIK3CG P48736 1/20 0.34
TDP2 O95551 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
PTGS2 P35354 1/20 0.33
CDC25A P30304 2/20 0.33
CDC25C P30307 2/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL9135463 0.71 ALDH1A1 (0.52) CA1CA2CA9MEN1ALDH1A1
SCHEMBL14324334 0.67 PTGS2 (0.44) PDE3BPDE3ASLC9A1PIK3CGTDP2
SCHEMBL5771668 0.65 RAB9A (0.38) PDE3BPDE3AABCC8KCNJ11TDP2
SCHEMBL5081325 0.63 ALDH1A1 (0.33) ALDH1A1HPGDKDM4E
SCHEMBL26375366 0.63 HSD11B1 (0.41) PDE3BPDE3AGPBAR1
SCHEMBL8901159 0.63 PDE3B (0.40) PDE3BPDE3AABCC8KCNJ11TDP2
SCHEMBL16900276 0.62 APP (0.57) TDP2CA1CA2MEN1ALDH1A1
SCHEMBL20989248 0.61 NFE2L2 (0.48) ALDH1A1
SCHEMBL2053792 0.60 PDE3B (0.38) PDE3BPDE3AABCC8KCNJ11GPBAR1
SCHEMBL2053315 0.60 PDK2 (0.35) PDE3BPDE3AABCC8KCNJ11GPBAR1

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-0885885-B1 PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-01-04 EP disclosed
US-6472348-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-29 US disclosed
US-6265349-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2001-07-24 US disclosed
US-6048823-A Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-11 US disclosed
EP-0885885-A1 PYRIDONE DERIVATIVES AND HERBICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-12-23 EP disclosed