SCHEMBL6679658

SCHEMBL6679658

Cc1ccc(C2=C(C(=O)Nc3ccc(OCCc4cccc(N)n4)cc3)CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.43
ITGA5 P08648 3/20 0.43
TP53 P04637 5/20 0.41
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
DHODH Q02127 1/20 0.38
CDK8 P49336 1/20 0.38
MGAT2 Q10469 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ATR Q13535 1/20 0.37

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
SCHEMBL6487340 0.92 ITGB1 (0.45) ITGB1ITGA5TP53S1PR1S1PR3
SCHEMBL6487913 0.89 CHRNB2 (0.43) ITGB1ITGA5TP53ITGB3ITGAV
SCHEMBL6501432 0.89 ITGB1 (0.42) ITGB1ITGA5TP53S1PR1S1PR3
SCHEMBL6498885 0.89 PPARG (0.37) ITGB1ITGA5TP53ITGB3ITGAV
SCHEMBL6531977 0.87 TP53 (0.40) TP53MAPTKDM4EHPGDHSD17B10
SCHEMBL6503188 0.86 NPC1 (0.45) TP53MAPTKDM4EHTTDHODH
SCHEMBL6491900 0.85 SMN1; SMN2 (0.58) TP53MAPTKDM4EHPGDHTT
SCHEMBL6501730 0.84 GAA (0.40) TP53KDM4EHPGDHSD17B10DHODH
SCHEMBL6490709 0.83 CHRNB2 (0.45) ITGB1ITGA5TP53MAPTKDM4E
SCHEMBL6500761 0.82 ITGB1 (0.43) ITGB1ITGA5TP53MAPTRXFP1

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-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed