SCHEMBL6047640

SCHEMBL6047640

COC1=CC[CH]C(c2ccccc2-c2cc(OC)c3ccccc3c2)=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
PTGES O14684 2/20 0.34
ALOX5 P09917 2/20 0.34
NQO1 P15559 1/20 0.34
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 3/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 1/20 0.34
ERN1 O75460 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ACACA Q13085 1/20 0.33
ALOX15 P16050 1/20 0.33
PTAFR P25105 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL6047663 0.89 MAPT (0.35) MAPTPTGESALOX5NQO1ALDH1A1
SCHEMBL6047599 0.79 IDO1 (0.39) MAPTNQO1ALDH1A1LMNAMEN1
SCHEMBL6047638 0.75 MAPT (0.34) MAPTPTGESALOX5NQO1ALDH1A1
SCHEMBL8197756 0.73 NQO1 (0.54) MAPTPTGESALOX5NQO1ALDH1A1
SCHEMBL5887237 0.72 MAPT (0.37) MAPTPTGESALOX5NQO1ALDH1A1
SCHEMBL29456755 0.72 KIT (0.44) MAPTPTGESALOX5NQO1ALDH1A1
SCHEMBL5887166 0.70 CYP2A6 (0.34) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL21824069 0.70 ENPP2 (0.47) MAPTPTGESALOX5NQO1ALDH1A1
SCHEMBL28802318 0.69 HPGD (0.54) MAPTPTGESALOX5NQO1ALDH1A1
SCHEMBL21888008 0.68 KMT2A (0.46) MAPTPTGESALOX5ALDH1A1SMN1; SMN2

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