SCHEMBL12856136

SCHEMBL12856136

COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](C(=O)NCCOCCO)C[C@H](C(=O)NCCOCCO)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HDAC8 Q9BY41 5/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
FPR2 P25090 1/20 0.48
MMP1 P03956 1/20 0.47
USP30 Q70CQ3 3/20 0.47
KLKB1 P03952 2/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47

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
SCHEMBL12856072 0.89 MEN1 (0.48) LMNAKMT2AMEN1USP30KLKB1
SCHEMBL12856055 0.88 LMNA (0.48) LMNAKMT2AMEN1USP30KLKB1
SCHEMBL13865245 0.86 MEN1 (0.47) KMT2AMEN1FPR2USP30KLKB1
SCHEMBL13525045 0.86 MEN1 (0.47) KMT2AMEN1FPR2USP30KLKB1
SCHEMBL12856138 0.85 LMNA (0.61) LMNAKMT2AMEN1HDAC8HDAC3
SCHEMBL13865273 0.84 SSTR3 (0.47) LMNAKMT2AMEN1FPR2USP30
SCHEMBL13525021 0.84 LMNA (0.46) LMNAKMT2AMEN1PLGPRSS1
SCHEMBL12856026 0.83 MEN1 (0.47) KMT2AMEN1MMP1KLKB1PSMB5
SCHEMBL12856005 0.82 KMT2A (0.46) LMNAKMT2AMEN1PLGPRSS1
SCHEMBL12856034 0.82 LMNA (0.42) LMNAKMT2AMEN1KLKB1PLG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682491-B1 NON-SYMMETRICAL GELLING AGENT APPLIED NANOSYSTEMS BV (NL) 2011-02-02 EP disclosed
US-7534915-B2 Non-symmetrical gelling agent APPLIED NANOSYSTEMS B.V. (NL) 2009-05-19 US disclosed
US-7534915-B2 Non-symmetrical gelling agent APPLIED NANOSYSTEMS B.V. (NL) 2009-05-19 US disclosed