SCHEMBL6683705

SCHEMBL6683705

CCCn1c2c(c3cccc(C(=O)OC)c31)C(=O)CCC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.53
BUB1 O43683 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BRD4 O60885 2/20 0.37
FABP3 P05413 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL6688213 0.87 FABP4 (0.69) FABP4BUB1FABP3
SCHEMBL6695587 0.86 FABP4 (0.50) FABP4KDM4EMEN1KMT2AUSP2
SCHEMBL6695590 0.86 FABP4 (0.50) FABP4KDM4EMEN1KMT2AUSP2
SCHEMBL6682158 0.85 FABP4 (0.72) FABP4FABP3
SCHEMBL6687192 0.85 FABP4 (0.57) FABP4HDAC1HDAC6FABP3CSNK2A2
SCHEMBL6690088 0.83 FABP4 (0.76) FABP4KDM4EALDH1A1FABP3
SCHEMBL6683246 0.83 FABP4 (0.57) FABP4HDAC1HDAC6FABP3CSNK2A2
SCHEMBL6681846 0.82 FABP4 (0.77) FABP4FABP3
SCHEMBL6692803 0.76 FABP4 (0.66) FABP4KDM4EHDAC1HDAC6FABP3
SCHEMBL6683944 0.76 FABP4 (0.47) FABP4HDAC1HDAC6BRD4FABP3

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