SCHEMBL3863243

SCHEMBL3863243

O=[C]C1(c2ccccc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.44
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE7A Q13946 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33

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
SCHEMBL1769351 0.78 HDAC4 (0.41) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL30929543 0.78 HDAC4 (0.41) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL6140948 0.77 HDAC4 (0.43) HDAC4OPRM1OPRK1HDAC3HDAC1
SCHEMBL6141004 0.75 BACE1 (0.40) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL1020368 0.71 NPC1 (0.48) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL625354 0.71 NPC1 (0.44) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL324341 0.70 MEN1 (0.41) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL23247796 0.70 HDAC4 (0.45) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL1557008 0.70 MEN1 (0.39) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL16113514 0.69 HDAC4 (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473695-B2 4-imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-06 US disclosed
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed