SCHEMBL931401

SCHEMBL931401

CCC(=O)NCCC1CCCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.56
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
BCHE P06276 2/20 0.48
SIGMAR1 Q99720 3/20 0.47
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL9893127 1.00 EPHX1 (0.56) EPHX1MEN1KMT2ABCHESIGMAR1
SCHEMBL5383679 0.90 MEN1 (0.54) EPHX1MEN1KMT2ASIGMAR1NQO2
SCHEMBL24429284 0.84 MEN1 (0.59) EPHX1MEN1KMT2ASIGMAR1CYP1A2
SCHEMBL28361935 0.83 EPHX1 (0.54) EPHX1KMT2ABCHESIGMAR1HPGD
SCHEMBL11690 0.81 MEN1 (0.45) EPHX1MEN1KMT2ASIGMAR1NQO2
SCHEMBL25925311 0.81 MEN1 (0.45) EPHX1MEN1KMT2ASIGMAR1HPGD
SCHEMBL13073873 0.81 EPHX1 (0.56) EPHX1BCHESIGMAR1HPGDNPC1
SCHEMBL8392277 0.80 EPHX1 (0.59) EPHX1BCHESIGMAR1HPGDNPC1
SCHEMBL931424 0.80 EPHX1 (0.59) EPHX1BCHESIGMAR1HPGDNPC1
SCHEMBL8886 0.80 EPHX1 (0.57) EPHX1MEN1KMT2AHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO claimed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO claimed
WO-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO disclosed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO disclosed