SCHEMBL6909493

SCHEMBL6909493

COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OC(C(=O)OC(C)(C)C)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.43
TNF P01375 3/20 0.42
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
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
USP19 O94966 1/20 0.36
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MAPK1 P28482 3/20 0.34
TSHR P16473 1/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33

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
SCHEMBL6167030 0.89 HDAC6 (0.47) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL1613324 0.82 HDAC6 (0.48) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL4378142 0.82 HDAC6 (0.48) HDAC6TNFHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL4373074 0.82 HDAC6 (0.48) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL5912648 0.79 ENPP1 (0.43) MAPK1ENPP1
SCHEMBL4377668 0.76 HDAC6 (0.45) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL1614040 0.76 HDAC6 (0.45) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL664005 0.76 HDAC6 (0.55) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL4380760 0.74 HDAC6 (0.51) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL4380759 0.74 HDAC6 (0.51) HDAC6TNFHDAC3HDAC4HDAC1

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-1446124-A1 COMBINATION THERAPY COMPRISING ZD6474 AND A TAXANE AstraZeneca AB (SE) 2004-08-18 EP disclosed
WO-2003039551-A1 COMBINATION THERAPY COMPRISING ZD6474 AND A TAXANE ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
EP-1244647-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001032651-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2001-05-10 WO disclosed