SCHEMBL7311798

SCHEMBL7311798

CCC(=O)OC(C(C)C)N(CP(=O)(O)O)C(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)OCCCCCN

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ITGB3 P05106 5/20 0.35
ITGA2B P08514 5/20 0.35
MMEL1 Q495T6 1/20 0.35
TLR2 O60603 2/20 0.34

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
SCHEMBL7309213 0.87 ITGB3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7349076 0.82 MMEL1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7320395 0.82 MMEL1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7319618 0.81 PPID (0.37)
SCHEMBL7319958 0.81 MEN1 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7311781 0.78 TLR2 (0.38) ITGB3ITGA2BTLR2
Hydrochloric Acid SCHEMBL9683593 0.77 TLR2 (0.38) ITGB3ITGA2BTLR2
SCHEMBL7309195 0.77 TLR2 (0.38) ITGB3ITGA2BTLR2
SCHEMBL7322732 0.77 TLR2 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7311117 0.76 MMEL1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed