SCHEMBL7962583

SCHEMBL7962583

COCCOCOc1cc(CC(=O)O)cc(C#N)c1OCOCCOC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
F2 P00734 1/20 0.39
ELANE P08246 1/20 0.39
XDH P47989 1/20 0.38
THRB P10828 5/20 0.35
THRA P10827 4/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RARA P10276 2/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
IKBKB O14920 2/20 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
SCHEMBL8126526 0.88 HPGD (0.38) HPGDF2ELANEXDHALDH1A1
SCHEMBL7962513 0.85 HPGD (0.49) HPGDF2ELANEXDH
SCHEMBL7951445 0.83 THRB (0.43) F2ELANETHRBTHRAALDH1A1
SCHEMBL8747650 0.81 F2 (0.39) F2ELANETHRBTHRAALDH1A1
SCHEMBL8134797 0.80 HPGD (0.36) HPGDF2ELANEXDH
SCHEMBL7962519 0.79 HPGD (0.38) HPGDF2ELANEXDHALDH1A1
SCHEMBL8119631 0.79 STING1 (0.44) HPGDF2ELANEXDHALDH1A1
SCHEMBL7962974 0.77 HPGD (0.36) HPGDF2ELANEXDHRARA
SCHEMBL7962968 0.77 HPGD (0.36) HPGDF2ELANEXDHALDH1A1
SCHEMBL7951509 0.77 FDPS (0.38) HPGDXDHALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
US-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed