SCHEMBL8636017

SCHEMBL8636017

Fc1ccccc1C1(C2C=CCCCC2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
HSD11B1 P28845 2/20 0.34
HSD11B2 P80365 1/20 0.34
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A2 P23975 2/20 0.32
PRCP P42785 1/20 0.31
PDE7A Q13946 1/20 0.31
SLC6A9 P48067 1/20 0.31
KDM1A O60341 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 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
SCHEMBL9004261 0.77 HDAC4 (0.42) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL18611832 0.72 HDAC4 (0.41) HDAC4SLC6A4SLC6A3SLC6A2KDM1A
SCHEMBL8766211 0.65 HSD11B1 (0.53) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL10356662 0.65 HDAC4 (0.41) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL527776 0.65 HDAC4 (0.45) HDAC4SLC6A4SLC6A3SLC6A2PDE7A
SCHEMBL10601663 0.65 HDAC4 (0.38) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL2589110 0.63 SLC6A2 (0.47) SLC6A4SLC6A3SLC6A2
SCHEMBL10336534 0.62 CYP1A2 (0.36) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL17982792 0.62 HDAC4 (0.47) HDAC4
SCHEMBL11840369 0.62 OPRM1 (0.54) HDAC4PSEN1PSEN2APH1BNCSTN

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
EP-0601191-B1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KK (JP) 1998-07-22 EP disclosed
EP-0601191-A1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1994-06-15 EP disclosed