SCHEMBL453169

SCHEMBL453169

O=C1OC2CCCCC2OC(=O)c2cccc1c2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRB2 P47870 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
F2 P00734 4/20 0.34
PRSS1 P07477 4/20 0.34
ALDH1A1 P00352 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
CASP3 P42574 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
ALDH2 P05091 1/20 0.33
BRD4 O60885 2/20 0.32
LHCGR P22888 1/20 0.32
NOTUM Q6P988 1/20 0.32
POLB P06746 1/20 0.32
CEL P19835 1/20 0.32

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
SCHEMBL132129 0.85 F2 (0.37) F2PRSS1ALDH1A1ALDH2NOTUM
Ethylene Glycol SCHEMBL10416141 0.76 F2 (0.35) F2PRSS1ALDH1A1
SCHEMBL2059857 0.75 ALDH2 (0.34) GABRA1F2PRSS1GABRG2GABRB3
SCHEMBL9009389 0.75 ERN1 (0.36) F2PRSS1
SCHEMBL5088751 0.69 F2 (0.33) F2PRSS1ALDH1A1ALDH2
SCHEMBL1861133 0.69 F2 (0.33) F2PRSS1ALDH1A1
SCHEMBL212973 0.67 KMT2A (0.34) ALDH1A1
SCHEMBL209608 0.67 CA1 (0.37) ALDH1A1
SCHEMBL2111856 0.67 MAOA (0.37) POLB
SCHEMBL4649342 0.67 NPC1 (0.36) GABRA1GABRB2GABRG2GABRB3NOTUM

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-20120064088-A1 METHODS OF TREATING ANEURYSM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-03-15 US disclosed
WO-2011133687-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF BETA2-ADRENERGIC RECEPTOR DEGRADATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-10-27 WO disclosed