SCHEMBL6940472

SCHEMBL6940472

COC(=O)Nc1cc(O)c(NC(=O)C[n+]2ccccc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 5/20 0.55
HSP90AA1 P07900 1/20 0.47
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 3/20 0.43
MAPT P10636 3/20 0.43
AHR P35869 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
PKM P14618 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL6941219 1.00 POLB (0.58) POLBALDH1A1KMT2AHSP90AA1ATM
Hydrochloric Acid SCHEMBL6946096 0.99 POLB (0.60) POLBALDH1A1KMT2AHSP90AA1ATM
Hydrochloric Acid SCHEMBL6942987 0.99 POLB (0.60) POLBALDH1A1KMT2AHSP90AA1ATM
SCHEMBL6943705 0.90 POLB (0.58) POLBALDH1A1KMT2AHSP90AA1ATM
SCHEMBL6943678 0.90 POLB (0.58) POLBALDH1A1KMT2AHSP90AA1ATM
Hydrochloric Acid SCHEMBL6941908 0.89 POLB (0.60) POLBALDH1A1KMT2AHSP90AA1ATM
Hydrochloric Acid SCHEMBL6940856 0.89 POLB (0.60) POLBALDH1A1KMT2AHSP90AA1ATM
SCHEMBL6944750 0.85 ALDH1A1 (0.52) POLBALDH1A1KMT2AHSP90AA1ATM
SCHEMBL6939433 0.85 ALDH1A1 (0.52) POLBALDH1A1KMT2AHSP90AA1ATM
SCHEMBL6941704 0.85 POLB (0.61) POLBALDH1A1KMT2AHSP90AA1ATM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed