SCHEMBL12856014

SCHEMBL12856014

O=C(O)[C@@H]1C[C@H](C(=O)O)C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
F10 P00742 1/20 0.50
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PSMB5 P28074 2/20 0.47
TAAR1 Q96RJ0 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP2 P08253 1/20 0.46
MEN1 O00255 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMB2 P49721 1/20 0.46

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
SCHEMBL12856013 0.88 ANPEP (0.53) KMT2ALMNATDP1PSMB5MEN1
SCHEMBL12856030 0.85 PLG (0.61)
SCHEMBL13525027 0.85 ACE (0.53) KMT2ALMNATDP1PSMB5MEN1
SCHEMBL12856005 0.84 KMT2A (0.46) KMT2AF10LMNATDP1PSMB5
SCHEMBL12856081 0.84 LMNA (0.58) KMT2ALMNATDP1PSMB5MEN1
SCHEMBL13525018 0.82 MME (0.51) KMT2ALMNATDP1PSMB5MEN1
SCHEMBL7762722 0.81 KMT2A (0.54) KMT2AF10PSMB5MMP2PSMB1
SCHEMBL8348444 0.81 KMT2A (0.54) KMT2AF10PSMB5MMP2PSMB1
SCHEMBL7762733 0.81 KMT2A (0.54) KMT2AF10PSMB5MMP2PSMB1
SCHEMBL7207278 0.81 KMT2A (0.54) KMT2AF10PSMB5MMP2PSMB1

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