SCHEMBL8666707

SCHEMBL8666707

Cn1c(C(C(=O)O)C(F)(F)F)cnc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.42
HPGDS O60760 1/20 0.40
DHODH Q02127 2/20 0.39
KMT2A Q03164 1/20 0.38
PDK2 Q15119 1/20 0.37
PTGS2 P35354 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HSD11B1 P28845 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAP4K4 O95819 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL8666696 0.79 AVPR1A (0.41) DHODHPTGS2
SCHEMBL4879887 0.75 COMT (0.49) COMTHPGDSDHODHKMT2APDE3B
SCHEMBL8666901 0.75 PTGS2 (0.42) DHODHKMT2APTGS2PDE3BPDE3A
SCHEMBL8669626 0.73 MAP4K4 (0.48) COMTHPGDSDHODHKMT2APDE3B
SCHEMBL2225245 0.71 HPGDS (0.50) COMTHPGDSDHODHKMT2APDE3B
SCHEMBL13843725 0.71 HPGDS (0.53) COMTHPGDSPDE3BPDE3AHSD11B1
SCHEMBL14190000 0.70 HPGDS (0.49) COMTHPGDSDHODHKMT2APDE3B
SCHEMBL8666893 0.70 PTGS2 (0.39) DHODHKMT2APTGS2
SCHEMBL6547472 0.69 CYP11B1 (0.50) COMTHPGDSDHODHKMT2APDE3B
SCHEMBL11623042 0.68 HPGDS (0.50) COMTHPGDSPTGS2PDE3BPDE3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811445-A ANGIOTENSIN II INHIBITORS ROUSSEL UCLAF (FR) 1998-09-22 US disclosed