SCHEMBL17899755

SCHEMBL17899755

CC1(COCCCCOc2ccccc2)COC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
LTA4H P09960 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HTR1B P28222 2/20 0.41
HTR1A P08908 1/20 0.39
ALOX12 P18054 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
HTR1D P28221 1/20 0.39

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
SCHEMBL12619906 0.87 LTA4H (0.38) KCNA3LTA4HHDAC3HDAC4HDAC1
SCHEMBL13578039 0.86 DRD2 (0.42) DRD2DRD4DRD3
SCHEMBL11950262 0.85 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL11950259 0.85 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL12312110 0.85 NR5A1 (0.49) LTA4HDRD2DRD4DRD3
SCHEMBL2623459 0.85 FLT3 (0.42) KCNA3DRD2DRD4
SCHEMBL2623448 0.85 LSS (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12957966 0.84 KDM4E (0.46) DRD2DRD4DRD3
SCHEMBL12619904 0.84 KDM4E (0.44) DRD2DRD4DRD3
SCHEMBL18903925 0.84 LSS (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2272894-B1 POLYMER COMPOUND, RETICULATED POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEM CORP (JP) 2016-07-06 EP disclosed