SCHEMBL6663800

SCHEMBL6663800

CN1Cc2ccccc2NC(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
EPHX2 P34913 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 1/20 0.35
IDO1 P14902 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
RAMP1 O60894 3/20 0.34
CALCRL Q16602 3/20 0.34
PLA2G10 O15496 2/20 0.34
PLA2G5 P39877 2/20 0.34
DRD2 P14416 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 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
SCHEMBL27358248 0.73 GAA (0.61) MAPK1BRD4CREBBPEPHX2GAA
SCHEMBL7294748 0.73 GAA (0.61) MAPK1BRD4CREBBPEPHX2GAA
SCHEMBL5191751 0.72 BRD4 (0.57) BRD4CREBBPGAAMAPTALOX15
SCHEMBL5196812 0.72 BRD4 (0.57) BRD4CREBBPGAAMAPTALOX15
SCHEMBL8524947 0.70 BRD4 (0.48) BRD4CREBBPGAAMAPTALOX15
SCHEMBL8503077 0.70 ITGB3 (0.61) ITGB3ITGAV
SCHEMBL8584093 0.70 BRD4 (0.48) BRD4CREBBPGAAMAPTALOX15
SCHEMBL3455376 0.70 ITGB3 (0.49) BRD4CREBBPITGB3ITGAV
SCHEMBL8526495 0.70 ITGB3 (0.49) BRD4CREBBPITGB3ITGAV
Oxalic Acid SCHEMBL7294772 0.69 MAPT (0.60) MAPK1BRD4CREBBPEPHX2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171428-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-09-15 EP disclosed
EP-1171428-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-01-16 EP disclosed
WO-2000063187-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-26 WO disclosed