SCHEMBL7907402

SCHEMBL7907402

Brc1cccc(Oc2ccc(OCCOCCOCCOCCOc3ccc(Oc4cccc(Br)c4)cc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
RAB9A P51151 3/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
LTA4H P09960 5/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLA2G2A P14555 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL7906278 0.88 LTA4H (0.51) MAOBRAB9AHTTL3MBTL1KDM4E
SCHEMBL16263296 0.87 MAOB (0.61) MAOBRAB9AHTTL3MBTL1KDM4E
SCHEMBL10876065 0.85 ALDH1A1 (0.53) MAOBRAB9AHTTL3MBTL1KDM4E
SCHEMBL3840708 0.83 MAOB (0.55) MAOBALDH1A1LTA4HMAPTSMN1; SMN2
SCHEMBL30633275 0.83 MAOB (0.55) MAOBALDH1A1LTA4HMAPTSMN1; SMN2
SCHEMBL3839157 0.83 ALDH1A1 (0.54) MAOBALDH1A1LTA4HMAPTSMN1; SMN2
SCHEMBL3838974 0.83 ALDH1A1 (0.54) MAOBALDH1A1LTA4HMAPTSMN1; SMN2
SCHEMBL3838956 0.81 SMN1; SMN2 (0.58) MAOBALDH1A1LTA4HTDP1LMNA
SCHEMBL13883739 0.81 MAOB (0.64) MAOBRAB9AHTTL3MBTL1KDM4E
SCHEMBL10801659 0.80 MAOB (0.67) MAOBRAB9AHTTL3MBTL1KDM4E

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
WO-1999064041-A9 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE INC (US) 2001-05-31 WO disclosed
EP-1100519-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS Advanced Medicine, Inc. (US) 2001-05-23 EP disclosed
WO-1999064041-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed