SCHEMBL8660261

SCHEMBL8660261

Cc1ccc(C(=O)C[n+]2ccccc2)cc1.Cc1ccc(C(=O)C[n+]2ccccc2)cc1.Cc1ccc(C(=O)C[n+]2ccccc2)cc1.Cc1ccc(C(=O)C[n+]2ccccc2)cc1.Cc1ccc(C(=O)C[n+]2ccccc2)cc1.Cc1ccc(C(=O)C[n+]2ccccc2)cc1.Cc1ccc(C(=O)C[n+]2ccccc2)cc1.Cc1ccc(C(=O)C[n+]2ccccc2)cc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
LMNA P02545 5/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 3/20 0.56
PABPC1 P11940 2/20 0.56
KMT2A Q03164 4/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 3/20 0.49
MEN1 O00255 3/20 0.47
NPC1 O15118 1/20 0.47
BACE1 P56817 1/20 0.46
POLB P06746 1/20 0.46
MITF O75030 1/20 0.45
NR2F2 P24468 1/20 0.45

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
SCHEMBL841434 0.91 ALDH1A1 (0.69) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
Bromide SCHEMBL3616347 0.89 KDM4E (0.70) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
Iodide SCHEMBL20704647 0.89 PABPC1 (0.70) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5907533 0.89 ALDH1A1 (0.72) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL8660257 0.88 KDM4E (0.64) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL8662089 0.84 ATM (0.58) ALDH1A1LMNAHTTKDM4EPABPC1
SCHEMBL8968159 0.81 KDM4E (0.63) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL16810262 0.77 KDM4E (0.67) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL765905 0.76 KDM4E (0.76) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10416961 0.76 KDM4E (0.65) ALDH1A1LMNAHTTSMN1; SMN2KDM4E

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-0681225-B1 Electrostatic toner comprising phenacyl compounds BASF AG (DE) 1998-11-18 EP disclosed
EP-0681225-A1 Electrostatic toner comprising phenacyl compounds BASF AKTIENGESELLSCHAFT (DE) 1995-11-08 EP disclosed