SCHEMBL2650280

SCHEMBL2650280

COc1cc(C=O)cc(OC)c1OCCBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
ALDH1A1 P00352 13/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.46
TNFRSF1A P19438 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MAPT P10636 8/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
TRIM24 O15164 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL2649949 0.91 ALDH1A1 (0.64) FDPSALDH1A1MAPK1TSHRTNFRSF1A
SCHEMBL2650454 0.89 ALDH1A1 (0.48) FDPSALDH1A1MAPK1TSHRMAPT
SCHEMBL6739941 0.86 FDPS (0.54) FDPSALDH1A1MAPK1TSHRTNFRSF1A
SCHEMBL8615157 0.86 FDPS (0.54) FDPSALDH1A1MAPK1TSHRTNFRSF1A
SCHEMBL7466433 0.84 FDPS (0.53) FDPSALDH1A1MAPK1TSHRTNFRSF1A
SCHEMBL7467304 0.84 FDPS (0.57) FDPSALDH1A1MAPK1TSHRTNFRSF1A
SCHEMBL2649856 0.83 MGAM (0.45) FDPSALDH1A1MAPK1TSHRMAPT
SCHEMBL7462928 0.83 FDPS (0.51) FDPSALDH1A1MAPK1TSHRTNFRSF1A
SCHEMBL2744232 0.83 TUBB1 (0.54) FDPSALDH1A1MAPK1TSHRTNFRSF1A
SCHEMBL10572490 0.83 FDPS (0.51) FDPSALDH1A1MAPK1TSHRTNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed