SCHEMBL9268691

SCHEMBL9268691

CNC(=O)N(CCOc1ccc(-c2ccccc2)cc1)C(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.50
LTA4H P09960 1/20 0.49
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
MMP3 P08254 1/20 0.45
LSS P48449 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL10987841 0.75 SLC22A1 (0.49) MCHR1LTA4HSMN1; SMN2BCHEACHE
SCHEMBL9269563 0.75 BCHE (0.53) MCHR1LTA4HHDAC3HDAC4HDAC1
SCHEMBL9270975 0.74 LMNA (0.55) SMN1; SMN2MAPTACHE
SCHEMBL9268705 0.74 ACACB (0.45) MCHR1LTA4HHDAC3HDAC4HDAC1
SCHEMBL9260448 0.73 BCHE (0.51) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL9266749 0.72 ACHE (0.57) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL9268622 0.71 TSHR (0.51) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL9707311 0.71 MCHR1 (0.53) MCHR1LTA4HHDAC3HDAC4HDAC1
SCHEMBL9271362 0.71 BCHE (0.48) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL9269026 0.71 LTA4H (0.46) MCHR1LTA4HHDAC3HDAC4HDAC1

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
WO-1995029155-A1 NOVEL ANTITUMOUR COMPOUNDS WITH ANTIMITOTIC ACTIVITY PHARMACIA AB (SE) 1995-11-02 WO disclosed