SCHEMBL8537486

SCHEMBL8537486

[CH2]CCCCOc1cccc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.56
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
LTA4H P09960 1/20 0.54
BACE1 P56817 1/20 0.53
KCNA3 P22001 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
DHFR P00374 1/20 0.48
NR4A2 P43354 1/20 0.48

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
SCHEMBL8539801 0.95 LTA4H (0.55) HRH3HDAC1HDAC2LTA4HBACE1
SCHEMBL8539823 0.89 LTA4H (0.57) HRH3HDAC1HDAC2LTA4HBACE1
SCHEMBL10674759 0.84 HRH3 (0.57) HRH3HDAC1HDAC2LTA4HBACE1
SCHEMBL8536500 0.83 KCNA3 (0.58) HRH3HDAC1HDAC2LTA4HKCNA3
SCHEMBL95473 0.82 KCNA3 (0.76) HDAC1HDAC2LTA4HKCNA3HDAC3
SCHEMBL10671455 0.82 HRH3 (0.60) HRH3HDAC1HDAC2LTA4HBACE1
SCHEMBL4894683 0.82 HRH3 (0.56) HRH3HDAC1HDAC2LTA4HBACE1
SCHEMBL10681293 0.82 HRH3 (0.60) HRH3HDAC1HDAC2LTA4HBACE1
SCHEMBL10679229 0.82 HRH3 (0.56) HRH3HDAC1HDAC2LTA4HBACE1
SCHEMBL10683208 0.82 HRH3 (0.60) HRH3HDAC1HDAC2LTA4HBACE1

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-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed