SCHEMBL6687192

SCHEMBL6687192

COC(=O)c1cccc2c3c(n(Cc4ccccc4)c12)CCCC3=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 15/20 0.57
FABP3 P05413 2/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
MAPK8 P45983 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
SCHEMBL6683246 0.98 FABP4 (0.57) FABP4FABP3HDAC1HDAC6CSNK2A2
SCHEMBL6691727 0.88 FABP4 (0.74) FABP4FABP3HDAC1HDAC6CSNK2A2
SCHEMBL6687514 0.87 FABP4 (0.54) FABP4FABP3MAPK8
SCHEMBL6687511 0.87 FABP4 (0.54) FABP4FABP3MAPK8
SCHEMBL6685674 0.85 FABP4 (0.74) FABP4FABP3
SCHEMBL6683705 0.85 FABP4 (0.53) FABP4FABP3HDAC1HDAC6CSNK2A2
SCHEMBL6683944 0.85 FABP4 (0.47) FABP4FABP3HDAC1HDAC6
SCHEMBL6686562 0.84 FABP4 (0.76) FABP4FABP3
SCHEMBL6685978 0.84 FABP4 (0.77) FABP4FABP3
SCHEMBL5207833 0.83 HDAC1 (0.51) FABP4FABP3HDAC1HDAC6CSNK2A2

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
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO claimed
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO disclosed