SCHEMBL5757142

SCHEMBL5757142

O=C(NC(CNC(=O)c1ccccc1O)C(Cc1ccc([N+](=O)[O-])cc1)SCC1CCCCC1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 5/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 2/20 0.36
CCR3 P51677 1/20 0.35
CTSS P25774 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5753443 0.84 GSK3B (0.33) ALDH1A1L3MBTL1MAPTEPHX1POLB
SCHEMBL5755160 0.84 EPHX1 (0.33) ALDH1A1L3MBTL1MAPTEPHX1CCR3
SCHEMBL5755092 0.83 EPHX1 (0.32) ALDH1A1L3MBTL1MAPTGAAEPHX1
SCHEMBL5755568 0.83 CACNA1B (0.35) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL5756516 0.83 CCR3 (0.34) ALDH1A1L3MBTL1MAPTGAAEPHX1
SCHEMBL5754267 0.82 L3MBTL1 (0.32) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL5759489 0.79 MCL1 (0.34) ALDH1A1L3MBTL1KMT2A
SCHEMBL5754757 0.79 MCL1 (0.33) ALDH1A1L3MBTL1CCR3
SCHEMBL5756658 0.79 CACNA1B (0.39) ALDH1A1L3MBTL1KMT2A
SCHEMBL5755571 0.76 HPGD (0.36) ALDH1A1CTSSKMT2AHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed