SCHEMBL6047663

SCHEMBL6047663

COc1cc(-c2ccccc2C2=CC(Oc3ccccc3)=CC[CH]2)cc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
FYN P06241 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 3/20 0.33
NQO1 P15559 1/20 0.33
HTT P42858 1/20 0.33
ACACA Q13085 1/20 0.32
TTR P02766 1/20 0.32
ALOX15 P16050 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
DYRK1A Q13627 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31

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
SCHEMBL6047640 0.89 MAPT (0.36) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6047604 0.81 IDO1 (0.35) MAPTKDM4EALDH1A1LMNANQO1
SCHEMBL6047596 0.79 ABL1 (0.45) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6047633 0.74 PTPN1 (0.36) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4009020 0.73 GSTP1 (0.35) SMN1; SMN2KDM4EALDH1A1ALOX5MEN1
SCHEMBL6047648 0.73 NAAA (0.42) GPR84BRD4
SCHEMBL6047638 0.71 MAPT (0.34) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8197756 0.69 NQO1 (0.54) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6047613 0.69 THRA (0.39) MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL6047602 0.69 NAAA (0.37) MAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed