SCHEMBL7039072

SCHEMBL7039072

C=C(CN)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
HSD17B10 Q99714 3/20 0.52
GFER P55789 2/20 0.52
HTT P42858 2/20 0.52
GPR55 Q9Y2T6 1/20 0.52
ABAT P80404 1/20 0.44
CYP3A4 P08684 3/20 0.43
HIF1A Q16665 3/20 0.43
BLM P54132 2/20 0.43
PMP22 Q01453 2/20 0.43
MPO P05164 1/20 0.43
KDM5A P29375 1/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.41
ADRA2A P08913 2/20 0.41
SLC6A2 P23975 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
ESR1 P03372 2/20 0.41
ALOX15 P16050 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
SCHEMBL16085822 0.78 ALDH1A1 (0.42) HTTLMNAALDH1A1CYP1A2ACHE
SCHEMBL10204706 0.77 MAPT (0.55) MAPTHSD17B10GFERHTTGPR55
SCHEMBL263093 0.77 MAOA (0.58)
Iodide SCHEMBL10988052 0.75 MAOA (0.56)
Hydrochloric Acid SCHEMBL8011176 0.75 MAOA (0.59)
SCHEMBL5749794 0.75 ESR1 (0.58) MAPTHSD17B10GFERHTTGPR55
SCHEMBL5747824 0.75 MAPT (0.52) MAPTHSD17B10GFERHTTGPR55
SCHEMBL12318444 0.75 PTPN1 (0.54) MAPTHSD17B10GFERHTTGPR55
SCHEMBL7542403 0.73 MAPT (0.50) MAPTHSD17B10GFERHTTGPR55
SCHEMBL10728364 0.73 ALDH1A1 (0.50) HSD17B10CYP3A4LMNAALDH1A1KDM4E

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
US-20040112470-A1 High performance non-chrome pretreatment for can-end stock aluminum HENKEL AG & CO. KGAA (DE) 2004-06-17 US claimed
EP-0728225-A4 1996-09-11 EP claimed
EP-0728225-A1 COMPOSITION AND PROCESS FOR TREATING METAL HENKEL CORPORATION (US) 1996-08-28 EP claimed
WO-1995009934-A1 COMPOSITION AND PROCESS FOR TREATING METAL HENKEL CORPORATION (US) 1995-04-13 WO claimed
EP-0633951-A1 COMPOSITION AND PROCESS FOR TREATING METAL. HENKEL CORP (US) 1995-01-18 EP claimed
WO-1993020260-A1 COMPOSITION AND PROCESS FOR TREATING METAL HENKEL CORPORATION (US) 1993-10-14 WO claimed