SCHEMBL7307856

SCHEMBL7307856

CCC(=O)OC(OP(=O)(CNC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)OCc1ccccc1)O[C@H](OC(=O)CC)C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
MMEL1 Q495T6 1/20 0.39

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
SCHEMBL7311112 0.93 L3MBTL1 (0.40) L3MBTL1MMEL1
SCHEMBL7314499 0.93 HRH4 (0.41) HRH4L3MBTL1MEN1ALDH1A1HPGD
SCHEMBL7311908 0.91 MMEL1 (0.48) L3MBTL1MMEL1
SCHEMBL7312621 0.91 MMEL1 (0.48) L3MBTL1MMEL1
SCHEMBL7319953 0.89 L3MBTL1 (0.39) L3MBTL1MEN1ALDH1A1HPGDKMT2A
SCHEMBL7316899 0.89 CYP3A4 (0.42) L3MBTL1ALDH1A1MMEL1
SCHEMBL7340179 0.88 L3MBTL1 (0.40) L3MBTL1MMEL1
SCHEMBL7309195 0.88 TLR2 (0.38)
SCHEMBL7318799 0.87 L3MBTL1 (0.41) L3MBTL1MMEL1
SCHEMBL7317726 0.86 L3MBTL1 (0.40) L3MBTL1MMEL1

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-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP claimed
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed