SCHEMBL296883

SCHEMBL296883

CC[C@H](C)[C@H](NC(=O)CC1CCCCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 4/20 0.44
EPHX1 P07099 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.43
LTA4H P09960 1/20 0.43
CPB2 Q96IY4 1/20 0.42
EPHX2 P34913 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
XIAP P98170 1/20 0.39
FPR2 P25090 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL11357838 0.86 ALDH1A1 (0.53) ALDH1A1KMT2AEPHX1HPGDLTA4H
SCHEMBL6138081 0.84 HPGD (0.46) ALDH1A1KMT2AEPHX1HPGDLTA4H
SCHEMBL6138080 0.84 HPGD (0.46) ALDH1A1KMT2AEPHX1HPGDLTA4H
SCHEMBL15906239 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AEPHX1HPGDLTA4H
SCHEMBL9220946 0.80 L3MBTL1 (0.46) L3MBTL1ALDH1A1KMT2AMEN1LTA4H
SCHEMBL6136293 0.79 LTA4H (0.55) KMT2AEPHX1HPGDLTA4HEPHX2
SCHEMBL6136289 0.79 LTA4H (0.55) KMT2AEPHX1HPGDLTA4HEPHX2
SCHEMBL7437533 0.78 HPGD (0.57) KMT2AEPHX1HPGDLTA4HEPHX2
SCHEMBL8829934 0.78 L3MBTL1 (0.56) L3MBTL1ALDH1A1KMT2AEPHX1HPGD
SCHEMBL9829897 0.78 L3MBTL1 (0.56) L3MBTL1ALDH1A1KMT2AEPHX1HPGD

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-1962959-B1 NEUROPEPTIDE-2 RECEPTOR-AGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed