SCHEMBL8787265

SCHEMBL8787265

O=C(NCCCN(CC1Cc2ccccc2O1)C(=O)OCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.42
PAX8 Q06710 1/20 0.42
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TGM2 P21980 5/20 0.40
NR1D1 P20393 1/20 0.40
DRD4 P21917 3/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
CCR5 P51681 1/20 0.38
HPGD P15428 1/20 0.37
SLC6A4 P31645 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL8788877 0.95 NR1D1 (0.39) CCR6PAX8PPARGKDM4EALDH1A1
SCHEMBL8046943 0.87 CCR6 (0.47) CCR6PAX8HPGDTMEM97SIGMAR1
SCHEMBL8787321 0.85 APP (0.43) PPARGALDH1A1DRD4DRD3DRD2
SCHEMBL8787183 0.85 DRD3 (0.41) PPARGKDM4EALDH1A1NR1D1DRD4
SCHEMBL8050607 0.83 SIGMAR1 (0.50) CCR6PAX8TMEM97SIGMAR1
SCHEMBL8787114 0.81 ALDH1A1 (0.41) PPARGALDH1A1DRD4DRD3DRD2
SCHEMBL8053562 0.81 HPGD (0.42) CCR6PAX8ALDH1A1HPGDTMEM97
SCHEMBL8653424 0.80 CCR6 (0.39) CCR6PAX8KDM4EALDH1A1NR1D1
SCHEMBL8652547 0.78 NR1D1 (0.38) CCR6PAX8ALDH1A1NR1D1CCR5
SCHEMBL8047896 0.77 NPC1 (0.45) CCR6PAX8ALDH1A1TMEM97SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0769496-A1 NOVEL 2,3-DIHYDROBENZOFURAN DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-04-23 EP disclosed