SCHEMBL7306708

SCHEMBL7306708

O=C(O)c1ccc(NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NCP(=O)(O)Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
USP30 Q70CQ3 1/20 0.42
GPR142 Q7Z601 3/20 0.42
NR1H4 Q96RI1 2/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL7315613 0.91 HDAC8 (0.44) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7312109 0.87 MME (0.52) USP30GPR142NR1H4KMT2AALDH1A1
SCHEMBL7312117 0.87 MME (0.52) USP30GPR142NR1H4KMT2AALDH1A1
SCHEMBL7307994 0.83 HDAC8 (0.47) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8932450 0.82 MME (0.47) KMT2AMEN1MMEACE
SCHEMBL7410891 0.80 FPR2 (0.46) KMT2AMEN1CYP2C9MMEACE
SCHEMBL7310423 0.79 MMEL1 (0.57) MMEACE
SCHEMBL7316584 0.79 MMEL1 (0.57) MMEACE
SCHEMBL7309907 0.78 MMEL1 (0.48)
SCHEMBL7322636 0.78 SRC (0.49)

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