SCHEMBL7318600

SCHEMBL7318600

CCOC(=O)CCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)N(CP(=O)(O)O)C(C)OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
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
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7319529 0.80 MMEL1 (0.39) MMEL1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL7314865 0.77 MMEL1 (0.38) MMEL1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL7318595 0.77 L3MBTL1 (0.41) MMEL1L3MBTL1MAPTRAB9A
SCHEMBL7319618 0.76 PPID (0.37) CYP3A4CYP2D6CYP2C19MAPTRAB9A
Benzoic Acid SCHEMBL7322120 0.76 PTGES (0.39) MMEL1MAPT
SCHEMBL7311117 0.76 MMEL1 (0.37) MMEL1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL7318805 0.76 MMEL1 (0.37) MMEL1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL7343809 0.75 MMEL1 (0.50) MMEL1
SCHEMBL7311798 0.75 HDAC3 (0.37) MMEL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9681904 0.75 MMEL1 (0.39) MMEL1L3MBTL1HDAC3HDAC4HDAC1

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