SCHEMBL4076440

SCHEMBL4076440

CC(C)(C)OC(=O)c1ccc(CCCCCCCCCCC(=O)NCCCC(=O)O)cc1.CC(C)(C)OC(=O)c1ccc(CCCCCCCCCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
RXRA P19793 2/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL4090552 0.96 CA1 (0.43) ITGB3ITGA2BCA1CA2SIGMAR1
SCHEMBL1743025 0.88 CYP4A11 (0.39) RXRANR1H2NR1H3
SCHEMBL1744284 0.87 LMNA (0.54) ITGB3ITGA2BLMNATSHRCA1
SCHEMBL2152117 0.81 SMN1; SMN2 (0.46) LMNATSHRHDAC3HDAC4HDAC1
SCHEMBL558014 0.80 PPARA (0.44) TSHRRXRANR1H2NR1H3
SCHEMBL2925326 0.79 CNR1 (0.42)
SCHEMBL1743772 0.77 MAPT (0.54) RXRANR1H2NR1H3HDAC3HDAC4
SCHEMBL3474501 0.77 TDP1 (0.47) CA1CA2HDAC8
SCHEMBL22402873 0.77 TDP1 (0.47) CA1CA2HDAC8
SCHEMBL4190503 0.77 KMT2A (0.37) ITGB3ITGA2BRXRANR1H2NR1H3

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-2015770-A2 INSULIN DERIVATIVE Novo Nordisk A/S (DK) 2009-01-21 EP disclosed
WO-2007128817-A2 INSULIN DERIVATIVE NOVO NORDISK A/S (DK) 2007-11-15 WO disclosed