SCHEMBL8418971

SCHEMBL8418971

BrCCCc1cccc(OCCCCOc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.53
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
SLC2A1 P11166 1/20 0.46
KCNH2 Q12809 1/20 0.46
MGLL Q99685 1/20 0.46
BCHE P06276 3/20 0.46
FFAR1 O14842 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL9442260 0.87 KCNA3 (0.53) KCNA3DRD2DRD4DRD3SLC2A1
SCHEMBL19281462 0.87 CYP4F2 (0.66) CYP4F2CYP4A11MGLLBCHEFFAR1
SCHEMBL8499307 0.86 PPARA (0.58) KCNH2PPARGPPARA
SCHEMBL4521863 0.84 KCNA3 (0.59) KCNA3DRD2DRD4DRD3SLC2A1
SCHEMBL9476790 0.84 KCNA3 (0.59) KCNA3DRD2DRD4DRD3CYP4F2
SCHEMBL4745845 0.84 CYP2D6 (0.50) PPARGPPARA
SCHEMBL14658803 0.84 KDM4E (0.49) PPARGPPARA
SCHEMBL20318731 0.83 PPARA (0.58) KCNA3KCNH2PPARGPPARA
SCHEMBL8767703 0.83 CYP4F2 (0.61) KCNA3DRD2DRD4DRD3CYP4F2
SCHEMBL8420595 0.83 KCNA3 (0.53) KCNA3DRD2DRD4DRD3CYP4F2

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
US-5872280-A RESPIRATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 US disclosed
EP-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 EP disclosed