SCHEMBL7322648

SCHEMBL7322648

O=C(O)CCCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)N(CP(=O)(O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.50
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
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL7320409 0.96 MMEL1 (0.48) MMEL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7310435 0.94 MMEL1 (0.58) MMEL1
SCHEMBL7316590 0.94 MMEL1 (0.58) MMEL1
SCHEMBL7313040 0.88 MMEL1 (0.51) MMEL1
SCHEMBL7309975 0.88 MMEL1 (0.51) MMEL1
SCHEMBL7322150 0.87 MMEL1 (0.53) MMEL1
SCHEMBL7313717 0.85 MMEL1 (0.51) MMEL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7341091 0.85 MMEL1 (0.51) MMEL1
SCHEMBL7317548 0.84 MMEL1 (0.50) MMEL1
SCHEMBL7309927 0.84 MMEL1 (0.49) MMEL1

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