SCHEMBL8046796

SCHEMBL8046796

Cc1cc(C(=O)O)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2cc(CN3C(=O)c4ccccc4C3=O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
ENPP2 Q13822 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 2/20 0.36
USP14 P54578 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TUBB8B A6NNZ2 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35

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
Bromide SCHEMBL7103303 0.99 KMT2A (0.43) KMT2AMEN1HPGDENPP2HDAC1
SCHEMBL7099955 0.85 MAPT (0.35) KMT2AMEN1HPGDHDAC1ALDH1A1
Trifluoroacetic Acid SCHEMBL7100162 0.84 F10 (0.33) KMT2AMEN1HDAC1HDAC7HDAC4
SCHEMBL12907529 0.82 TTR (0.38) KMT2AALDH1A1MAPTHTT
Bromide SCHEMBL8908965 0.81 TTR (0.37) KMT2AALDH1A1MAPTHTT
SCHEMBL7103348 0.80 MAPT (0.35) KMT2AMEN1HPGDALDH1A1MAPT
Trifluoromethanesulfonic Acid SCHEMBL7098580 0.79 ACHE (0.37) KMT2AMEN1HPGDALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL7102846 0.78 ACHE (0.35) ALDH1A1
SCHEMBL13979965 0.78 LMNA (0.34) ALDH1A1MAPK1MAPT
SCHEMBL4192623 0.76 ACHE (0.34) KMT2AMEN1HPGDALDH1A1MAPT

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
EP-0988551-A2 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS Bayer Corporation (US) 2000-03-29 EP disclosed
WO-1998054574-A2 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS BAYER CORPORATION (US) 1998-12-03 WO disclosed