SCHEMBL7312857

SCHEMBL7312857

CC1OC1=O.CCOC(=O)CCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)N(CC1CCCCC1)C(CC1CCCCC1)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
CTSS P25774 5/20 0.36
BCHE P06276 1/20 0.35
REN P00797 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 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
Benzoic Acid SCHEMBL7319870 0.91 MME (0.38) MMEACECPA1ACE2MMP1
Benzoic Acid SCHEMBL7322120 0.79 PTGES (0.39) MMEACECPA1ACE2MMP1
SCHEMBL7319529 0.73 MMEL1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7314865 0.72 MMEL1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7343809 0.72 MMEL1 (0.50) MMEL1
SCHEMBL7318600 0.70 MMEL1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7348558 0.69 MME (0.48) MMEACEMMEL1
SCHEMBL7312321 0.69 MME (0.48) MMEACEMMEL1
Benzoic Acid SCHEMBL9683590 0.68 MMEL1 (0.46) MMEACECPA1ACE2MMEL1
SCHEMBL7318805 0.67 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 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