SCHEMBL9824522

SCHEMBL9824522

COc1ccc(/C=C/c2ccccc2)c(CC(C)NCCc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.48
SIGMAR1 Q99720 5/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RELA Q04206 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CASR P41180 2/20 0.37
HTR2A P28223 3/20 0.36
HTR1A P08908 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 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
SCHEMBL9824218 1.00 SLC2A1 (0.48) SLC2A1SIGMAR1MEN1KMT2ACYP1A1
SCHEMBL9824503 0.87 SLC2A1 (0.49) SLC2A1SIGMAR1MEN1KMT2ACYP1A1
SCHEMBL9824630 0.87 SLC2A1 (0.49) SLC2A1SIGMAR1MEN1KMT2ACYP1A1
SCHEMBL10759050 0.87 SLC2A1 (0.49) SLC2A1SIGMAR1MEN1KMT2ACYP1A1
SCHEMBL9824627 0.87 SLC2A1 (0.50) SLC2A1SIGMAR1MEN1KMT2ACYP1A1
SCHEMBL9824526 0.87 SLC2A1 (0.50) SLC2A1SIGMAR1MEN1KMT2ACYP1A1
SCHEMBL9824898 0.87 SLC2A1 (0.50) SLC2A1SIGMAR1MEN1KMT2ACYP1A1
Hydrochloric Acid SCHEMBL9824367 0.86 SLC2A1 (0.48) SLC2A1SIGMAR1CYP1A1CYP1A2CYP1B1
Hydrochloric Acid SCHEMBL9824621 0.86 SLC2A1 (0.48) SLC2A1SIGMAR1CYP1A1CYP1A2CYP1B1
SCHEMBL9824993 0.86 CYP1A1 (0.44) SLC2A1SIGMAR1MEN1KMT2ACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250254-B1 CIS & TRANS STILBENES AND THEIR COMPOSITION FOR THE TREATMENT OF HYPERTENSION McNeilab, Inc. (US) 1991-06-19 EP claimed
EP-0250254-A1 Cis & trans stilbenes and their composition for the treatment of hypertension McNeilab, Inc. (US) 1987-12-23 EP claimed
EP-0250254-B1 CIS & TRANS STILBENES AND THEIR COMPOSITION FOR THE TREATMENT OF HYPERTENSION McNeilab, Inc. (US) 1991-06-19 EP disclosed