SCHEMBL931559

SCHEMBL931559

CC(C)(C)C1CCC(NC(=O)CCl)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
EPHX2 P34913 1/20 0.49
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HSD11B1 P28845 1/20 0.41
ALPL P05186 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.38
LIPA P38571 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FPR3 P25089 1/20 0.36

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
SCHEMBL9797958 0.89 EPHX1 (0.43) EPHX1EPHX2MTNR1AMTNR1BHSD11B1
SCHEMBL224441 0.84
SCHEMBL14242712 0.83 EPHX1 (0.58) EPHX1EPHX2MTNR1AMTNR1BHSD11B1
SCHEMBL4078312 0.81 EPHX1 (0.56) EPHX1EPHX2HSD11B1KMT2ASMN1; SMN2
SCHEMBL7753207 0.79 EPHX1 (0.53) EPHX1EPHX2
SCHEMBL11625924 0.79 EPHX1 (0.52) EPHX1MTNR1AMTNR1BLMNASMN1; SMN2
SCHEMBL473462 0.77 EPHX1 (0.50) EPHX1EPHX2MTNR1AMTNR1BKMT2A
SCHEMBL473460 0.77 EPHX1 (0.50) EPHX1EPHX2MTNR1AMTNR1BKMT2A
SCHEMBL6645772 0.77 MEN1 (0.54) EPHX1EPHX2KMT2ASMN1; SMN2HPGD
SCHEMBL4078313 0.77 EPHX1 (0.51) EPHX1EPHX2KMT2ASMN1; SMN2HPGD

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
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