SCHEMBL6932206

SCHEMBL6932206

C=CCOc1cccc(Br)c1.Oc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.50
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.43
HPGD P15428 2/20 0.43
SOD1 P00441 1/20 0.42
MAOA P21397 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.41
MAP1LC3A Q9H492 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
SCHEMBL472525 0.90 MAOB (0.55) MAOBALDH1A1KDM4EMRGPRX4HPGD
SCHEMBL31573499 0.90 MAOB (0.55) MAOBALDH1A1KDM4EMRGPRX4HPGD
Formaldehyde SCHEMBL27685853 0.87 MAOB (0.51) MAOBALDH1A1KDM4EMRGPRX4SOD1
3-(Allyloxy)Phenol SCHEMBL483058 0.87 APP (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
3-(Allyloxy)Phenol SCHEMBL27721429 0.85 APP (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL7365149 0.83 MAOB (0.39) MAOBALDH1A1KDM4EHPGDLMNA
3-(Allyloxy)Phenol SCHEMBL27494286 0.83 APP (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
3-(Allyloxy)Phenol SCHEMBL27650695 0.82 DRD2 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
3-(Allyloxy)Phenol SCHEMBL6690965 0.82 CHRNB2 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
3-(Allyloxy)Phenol SCHEMBL27494285 0.79 KAT6A (0.47) ALDH1A1KDM4EHPGDNPC1RAB9A

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
EP-1363876-A1 GLUCOCORTICOID RECEPTOR MODULATORS Abbott Laboratories (US) 2003-11-26 EP disclosed
WO-2002064550-A1 GLUCOCORTICOID RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2002-08-22 WO disclosed