SCHEMBL13865261

SCHEMBL13865261

O=C(O)[C@@H]1C[C@H](C(=O)O)C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.53
PSMB5 P28074 3/20 0.53
MMP1 P03956 2/20 0.51
USP30 Q70CQ3 3/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX2 P34913 2/20 0.48

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
SCHEMBL12856074 0.87 L3MBTL1 (0.60) ALDH1A1L3MBTL1KDM4ETDP1PSMB5
SCHEMBL12856073 0.83 L3MBTL1 (0.54) ALDH1A1L3MBTL1KDM4ETDP1PSMB5
SCHEMBL7358288 0.82 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4ETDP1PSMB5
SCHEMBL12856081 0.82 LMNA (0.58) ALDH1A1TDP1PSMB5
SCHEMBL12856013 0.81 ANPEP (0.53) TDP1PSMB5MMP1
SCHEMBL16539684 0.79 ALDH1A1 (0.65) ALDH1A1L3MBTL1KDM4ETDP1MMP1
SCHEMBL12856014 0.79 KMT2A (0.54) TDP1PSMB5
SCHEMBL7358298 0.78 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4ETDP1PSMB5
SCHEMBL7275839 0.78 PSMB5 (0.68) L3MBTL1TDP1PSMB5USP30
SCHEMBL16551860 0.78 ALDH1A1 (0.64) ALDH1A1L3MBTL1KDM4ETDP1PSMB5

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