SCHEMBL12856005

SCHEMBL12856005

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
F10 P00742 1/20 0.44
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRND Q07001 1/20 0.41
PSMB5 P28074 2/20 0.40
NMBR P28336 1/20 0.40
MMP2 P08253 1/20 0.40
MEN1 O00255 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB2 P49721 1/20 0.40

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
SCHEMBL13525021 0.94 LMNA (0.46) KMT2ALMNATDP1PLGPRSS1
SCHEMBL12856026 0.91 MEN1 (0.47) KMT2APSMB5MEN1
SCHEMBL12855997 0.88 PLG (0.55) PLGPRSS1PRSS2PRSS3
SCHEMBL12856073 0.85 L3MBTL1 (0.54) TDP1PSMB5
SCHEMBL12856014 0.84 KMT2A (0.54) KMT2AF10LMNATDP1PSMB5
SCHEMBL12856072 0.83 MEN1 (0.48) KMT2ALMNAPLGPRSS1PRSS2
SCHEMBL12856055 0.82 LMNA (0.48) KMT2ALMNAPLGPRSS1PRSS2
SCHEMBL12856136 0.82 LMNA (0.52) KMT2ALMNAPLGPRSS1PRSS2
SCHEMBL13865245 0.81 MEN1 (0.47) KMT2APLGPRSS1PRSS2PRSS3
SCHEMBL13525045 0.81 MEN1 (0.47) KMT2APLGPRSS1PRSS2PRSS3

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