SCHEMBL6152534

SCHEMBL6152534

CCN(CC)CCOc1ccc(NC(C)=O)cc1NC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
MCHR1 Q99705 4/20 0.54
ALDH1A1 P00352 3/20 0.49
RORC P51449 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDR P35968 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
NFKB1 P19838 1/20 0.47
KCNH2 Q12809 1/20 0.47
RECQL P46063 1/20 0.46

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
SCHEMBL10872909 0.85 MAPT (0.58) ALDH1A1RORCTDP1RECQLKDM4E
SCHEMBL10874142 0.83 TDP1 (0.54) ALDH1A1RORCTDP1RECQLSMN1; SMN2
SCHEMBL3863330 0.82 ALDH1A1 (0.50) MCHR1ALDH1A1RORCHTR2AHTR2C
SCHEMBL6153756 0.82 SMN1; SMN2 (0.53) HRH3ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL10874979 0.82 TDP1 (0.70) ALDH1A1RORCTDP1HDAC1HDAC8
SCHEMBL9795781 0.81 ALDH1A1 (0.53) ALDH1A1RORCTDP1RECQLPOLB
SCHEMBL3859832 0.79 MEN1 (0.64) HRH3MCHR1ALDH1A1TDP1KDR
SCHEMBL11754716 0.79 MCHR1 (0.57) HRH3MCHR1ALDH1A1KDRNFKB1
SCHEMBL11753732 0.79 MCHR1 (0.56) HRH3MCHR1ALDH1A1KDRATM
SCHEMBL11756085 0.78 MCHR1 (0.58) HRH3MCHR1ALDH1A1ATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064252-B1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS OREAL (FR) 2005-06-15 EP disclosed
US-6419711-B1 PHENOLIC COMPOUND COUPLER L'OREAL (FR) 2002-07-16 US disclosed
EP-1064252-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 2001-01-03 EP disclosed
WO-1999048856-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 1999-09-30 WO disclosed