SCHEMBL6376379

SCHEMBL6376379

CC(C(=O)NCc1cc(C(=O)O)ccc1N)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.38
▸ LDHB P07195 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ PPM1D O15297 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ EPHX1 P07099 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ PLEC Q15149 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ ITGA5 P08648 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL6376555 0.81 KDM4E (0.42) HDAC1KDM4EGAAHPGDALDH1A1
SCHEMBL6379060 0.73 ITGB3 (0.34) ITGB3ITGB1ITGAVITGA5SMN1; SMN2
SCHEMBL5862834 0.72 HPGD (0.56) EPHX1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL7642028 0.72 GAA (0.49) KDM4EGAAHPGDALDH1A1MAPT
Hydrochloric Acid SCHEMBL11619519 0.70 CYP3A4 (0.49) HDAC1ALOX15KDM4EGAAHPGD
Hydrochloric Acid SCHEMBL11617273 0.69 SLC2A1 (0.39) HDAC1ALOX15KDM4EGAAHPGD
SCHEMBL11622516 0.69 ABCB11 (0.48) KDM4EGAAALDH1A1MAPTHTT
SCHEMBL27570765 0.68 AAK1 (0.56) CTSL
SCHEMBL11618210 0.68 CDC25B (0.46) KDM4EGAAHPGDALDH1A1MAPT
SCHEMBL1560414 0.68 MAPT (0.54) KDM4EGAAHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225895-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-05-04 — — EP disclosed
US-6762201-B1 SUCH AS N-((2-AMINO-5-(N-METHYL-N-((1-METHYLINDOL-2-YL) -METHYL)CARBAMOYL)PHENYL)METHYL)-N-METHYLACETAMIDE; BACTERIAL INFECTIONS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-13 — — US disclosed
EP-1225895-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-11-13 — — EP disclosed
EP-1225895-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 — — EP disclosed
WO-2001026654-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-19 — — WO disclosed
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