SCHEMBL13865248

SCHEMBL13865248

O=C(O)[C@@H]1C[C@H](C(=O)O)C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3ccccc3c2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.54
KDM1A O60341 4/20 0.52
MAOA P21397 2/20 0.52
KLKB1 P03952 2/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
USP30 Q70CQ3 5/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CAPN1 P07384 2/20 0.47
TRHDE Q9UKU6 1/20 0.47
KDM1B Q8NB78 1/20 0.47
RCOR1 Q9UKL0 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
SCHEMBL12856056 1.00 MEN1 (0.54) MEN1KMT2ALMNAKDM1AMAOA
SCHEMBL13865265 0.90 KDM1A (0.46) MEN1KMT2ALMNAKDM1AMAOA
SCHEMBL12856035 0.89 MEN1 (0.46) MEN1KMT2ALMNACYP2D6MAPT
SCHEMBL13865260 0.87 CAPN1 (0.51) MEN1KMT2ALMNAKDM1AMAOA
SCHEMBL12856153 0.86 CAPN1 (0.53) MEN1KMT2ALMNACYP2D6MAPT
SCHEMBL13865271 0.84 KMT2A (0.43) MEN1KMT2ALMNAKDM1AMAOA
SCHEMBL12856055 0.84 LMNA (0.48) MEN1KMT2ALMNAKDM1AMAOA
SCHEMBL12856138 0.84 LMNA (0.61) MEN1KMT2ALMNAKDM1AMAOA
SCHEMBL12856086 0.83 KMT2A (0.45) MEN1KMT2ALMNACYP2D6MAPT
SCHEMBL12855998 0.82 KMT2A (0.48) MEN1KMT2ALMNACYP2D6MAPT

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
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