SCHEMBL4382793

SCHEMBL4382793

O=C(CCCN1c2ccccc2C(C(=O)Oc2c(C(F)(F)F)cccc2C(F)(F)F)c2ccccc21)ON1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
GLA P06280 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL4377350 0.96 HDAC1 (0.36) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL1603303 0.88 DRD2 (0.31) DRD3DRD2
SCHEMBL4370788 0.86 HDAC3 (0.33) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL1603410 0.85 HDAC3 (0.31) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4385124 0.83 HDAC1 (0.38) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1602668 0.78 DRD2 (0.31) DRD3DRD2
SCHEMBL1603218 0.75 HDAC3 (0.32) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12892565 0.70 MEN1 (0.51) KMT2AMEN1ALDH1A1HDAC3HDAC4
SCHEMBL4382791 0.69 ELANE (0.31)
SCHEMBL4532049 0.69 HDAC4 (0.37) KMT2AALDH1A1HPGDHDAC4HDAC7

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