SCHEMBL7600331

SCHEMBL7600331

C=CCC=CCc1ccccc1Oc1ccccc1CC=CCC=C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HRH1 P35367 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
ADRA2C P18825 5/20 0.38
ADRA2A P08913 4/20 0.38
ADRA2B P18089 4/20 0.38
HTR1A P08908 4/20 0.38
KCNH2 Q12809 2/20 0.38
NISCH Q9Y2I1 1/20 0.37
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
LMNA P02545 1/20 0.36
ADRB3 P13945 1/20 0.36
SLC6A2 P23975 1/20 0.36
BDKRB2 P30411 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL88415 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EICAM1SELEVCAM1
Water SCHEMBL8939878 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EICAM1SELEVCAM1
Ethylene SCHEMBL173231 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EICAM1SELEVCAM1
SCHEMBL3744643 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EICAM1SELEVCAM1
SCHEMBL3730543 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EICAM1SELEVCAM1
Formaldehyde SCHEMBL4291615 0.80 ICAM1 (0.48) ALDH1A1KDM4EICAM1SELEVCAM1
SCHEMBL10416071 0.78 HRH1 (0.39) ALDH1A1HRH1ICAM1SELEVCAM1
Ethylene Glycol SCHEMBL366742 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EICAM1SELEVCAM1
SCHEMBL7781179 0.76 HRH1 (0.40) ALDH1A1HRH1ICAM1SELEVCAM1
SCHEMBL725695 0.76 HRH1 (0.44) HRH1ICAM1SELEVCAM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735814-B1 OIL IN WATER EMULSIONS CLARIANT GMBH (DE) 2002-10-30 EP disclosed
US-5869423-A ETHOXYLATED FATTY AMINES OR PHOSPHORYLATED FATTY AMINE ETHOXYLATE SURFACTANTS; PHOSPHATE, THIOPHOSPHATE OR CARBAMATE PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed
US-5846905-A Oil-in-water emulsions CLARIANT GMBH (DE) 1998-12-08 US disclosed
EP-0735815-B1 OIL IN WATER EMULSIONS CLARIANT GMBH (DE) 1998-08-12 EP disclosed
EP-0735815-A1 OIL IN WATER EMULSIONS HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-09 EP disclosed
EP-0735814-A1 OIL IN WATER EMULSIONS HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-09 EP disclosed
WO-1995017087-A1 OIL IN WATER EMULSIONS HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-29 WO disclosed
WO-1995017088-A1 OIL IN WATER EMULSIONS HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-29 WO disclosed