SCHEMBL7688575

SCHEMBL7688575

COc1ccc(N)cc1OCCC(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
C5 P01031 2/20 0.43
TACR1 P25103 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PDE4A P27815 1/20 0.40

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
SCHEMBL14937721 0.78 MAPT (0.50) GAAMAPTKDM4EALDH1A1TSHR
SCHEMBL22502146 0.78 GAA (0.54) SIGMAR1GAAMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL22502140 0.77 GAA (0.57) SIGMAR1GAAMAPTKDM4EALDH1A1
SCHEMBL5704614 0.77 SIGMAR1 (0.59) SIGMAR1
SCHEMBL2064577 0.76 GAA (0.54) GAAMAPTKDM4EALDH1A1TSHR
SCHEMBL1157301 0.75 PDE4A (0.56) SIGMAR1PDE4A
SCHEMBL7696638 0.75 MCHR1 (0.54) PDE4A
SCHEMBL22502189 0.74 MAPT (0.66) GAAMAPTKDM4EALDH1A1TSHR
SCHEMBL5649965 0.74 KDM4E (0.56) GAAMAPTKDM4EALDH1A1TSHR
SCHEMBL7007168 0.73 HTR1A (0.47) SIGMAR1GAAMAPTKDM4EMAPK1

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
WO-2002081446-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOINDOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG CO., LTD. (KR) 2002-10-17 WO disclosed
WO-2002081447-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOTHIAZOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2002-10-17 WO disclosed