SCHEMBL4377350

SCHEMBL4377350

O=C(CCCCCCCCCCN1c2ccccc2C(C(=O)Oc2c(C(F)(F)F)cccc2C(F)(F)F)c2ccccc21)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.36
HDAC6 Q9UBN7 8/20 0.36
HDAC3 O15379 7/20 0.36
HDAC2 Q92769 7/20 0.36
HDAC10 Q969S8 7/20 0.36
HDAC8 Q9BY41 7/20 0.36
HDAC4 P56524 6/20 0.36
HDAC7 Q8WUI4 6/20 0.36
HDAC11 Q96DB2 6/20 0.36
HDAC9 Q9UKV0 6/20 0.36
HDAC5 Q9UQL6 6/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 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
SCHEMBL4382793 0.96 KMT2A (0.35) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL1603410 0.88 HDAC3 (0.31) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL4385124 0.86 HDAC1 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL1603303 0.84 DRD2 (0.31) DRD2
SCHEMBL4370788 0.83 HDAC3 (0.33) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL1603218 0.79 HDAC3 (0.32) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL1602668 0.75 DRD2 (0.31) DRD2
SCHEMBL4377347 0.70
SCHEMBL4382791 0.68 ELANE (0.31)
SCHEMBL16847503 0.68 SMN1; SMN2 (0.50) LMNAHTTALDH1A1SMN1; SMN2KMT2A

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-1658503-B1 CHEMILUMINESCENT COMPOUNDS MOLECULAR LIGHT TECH RES LTD (GB) 2009-11-18 EP claimed