SCHEMBL7309952

SCHEMBL7309952

COc1ccc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)O)Oc2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.53
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SRC P12931 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7312208 0.93 MMEL1 (0.58) MMEL1
SCHEMBL7310804 0.93 MMEL1 (0.58) MMEL1
SCHEMBL7309973 0.93 MMEL1 (0.58) MMEL1
SCHEMBL7318630 0.92 MMEL1 (0.53) MMEL1CTSLCTSSSRC
SCHEMBL7308199 0.92 MMEL1 (0.50) MMEL1CTSLCTSSKMT2A
SCHEMBL7317532 0.91 MMEL1 (0.52) MMEL1CTSLCTSSNPC1RAB9A
SCHEMBL7311806 0.90 MMEL1 (0.51) MMEL1SRC
SCHEMBL7318912 0.90 MMEL1 (0.51) MMEL1SRC
SCHEMBL7314722 0.90 MMEL1 (0.53) MMEL1
SCHEMBL7318259 0.89 MMEL1 (0.49) MMEL1CTSLCTSSSRC

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