SCHEMBL200620

SCHEMBL200620

CCc1cccc(OCC(=O)O)c1CBr

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
GLA P06280 1/20 0.54
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LTB4R Q15722 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.44
PLA2G1B P04054 4/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.42
PLA2G2A P14555 2/20 0.42
TBXAS1 P24557 1/20 0.41
PLA2G5 P39877 1/20 0.41
PLA2G2E Q9NZK7 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
SCHEMBL5386792 0.83 L3MBTL1 (0.65) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL266662 0.80 L3MBTL1 (0.72) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL4669737 0.78 L3MBTL1 (0.65) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL7402587 0.76 KDM4E (0.61) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL7169786 0.74 KDM4E (0.58) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL9545380 0.74 KMT2A (0.58) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL28148536 0.74 TSHR (0.60) L3MBTL1GLALTB4R
SCHEMBL5317677 0.73 GABRA1 (0.56) L3MBTL1TDP1
SCHEMBL12015669 0.72 L3MBTL1 (0.54) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL4576444 0.72 L3MBTL1 (0.66) L3MBTL1GLAPOLBSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088926-B2 Substituted 2-methyl-2-phenoxy-N-propyl-propionamides as cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-01-03 US disclosed