SCHEMBL18789367

SCHEMBL18789367

C1=Cc2oc3cc4ccccc4cc3c2CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.35
XRCC6 P12956 1/20 0.35
XRCC5 P13010 1/20 0.35
MAOA P21397 1/20 0.33
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
HTR6 P50406 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL12811178 0.81 AHR (0.44) MAOACYP2D6ACHE
SCHEMBL450881 0.81 KDM4E (0.38) MAOA
SCHEMBL12072344 0.77
SCHEMBL23626413 0.76 L3MBTL1 (0.41) PRKDCXRCC6XRCC5
SCHEMBL12811307 0.76 MAOA (0.39) MAOACYP2D6
SCHEMBL23285438 0.75 PRKDC (0.38) PRKDCXRCC6XRCC5MAOABCHE
SCHEMBL22132240 0.75 ALDH1A1 (0.32) CYP2D6SLC6A2ACHE
SCHEMBL22617758 0.75
SCHEMBL18900710 0.74 MAOB (0.37)
SCHEMBL20999529 0.74 NPC1 (0.46) HTR6CA2

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
WO-2017073706-A1 DIHYDRONAPHTHO[2,3-b]BENZOFURAN DERIVATIVE 中外製薬株式会社 2017-05-04 WO disclosed