SCHEMBL2906664

SCHEMBL2906664

O=C(O)C1CCC(Cc2cc3ccccc3o2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 8/20 0.45
ADRA2A P08913 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
PREP P48147 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2B P41595 1/20 0.42
ADAM10 O14672 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
AGXT P21549 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL7791747 0.87 LOXL2 (0.56) ADRA2ALOXL2PREPSLC6A4HTR1A
SCHEMBL31304968 0.79 LOXL2 (0.51) ADRA2ALOXL2PREPHTR1AHTR2B
SCHEMBL10366180 0.79 LOXL2 (0.51) ADRA2ALOXL2PREPHTR1AHTR2B
SCHEMBL2905181 0.79 ADRA2A (0.46) ADRA2ALOXL2PREPSLC6A2SLC6A4
SCHEMBL979273 0.75 ACHE (0.59) SLC6A2SLC6A4MEN1KMT2AFLT3
SCHEMBL2905520 0.75 PTGES2 (0.40) ADRA2ALOXL2SLC6A2SLC6A4ESR1
SCHEMBL1662783 0.72 GBA1 (0.53) HTR2BMEN1KMT2A
SCHEMBL3515654 0.72 GBA1 (0.53) HTR2BMEN1KMT2A
SCHEMBL18528970 0.71 LOXL2 (0.53) ADRA2ALOXL2PREPSLC6A4HTR1A
SCHEMBL1650806 0.71 ESR1 (0.57) LOXL2PREPHTR1AHTR2BESR1

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-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed