SCHEMBL8106988

SCHEMBL8106988

CCC(=O)CCC(=O)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
EPHX1 P07099 2/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 2/20 0.36
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL19867672 0.96 KMT2A (0.38) HPGDEPHX1KMT2AHSD11B1TDP1
SCHEMBL3846912 0.89 HPGD (0.47) HPGDEPHX1KMT2AHSD11B1TDP1
SCHEMBL6662692 0.89 HPGD (0.47) HPGDEPHX1KMT2AHSD11B1TDP1
SCHEMBL327378 0.87 KMT2A (0.43) HPGDEPHX1KMT2AHSD11B1TDP1
SCHEMBL8535268 0.83 HPGD (0.42) HPGDEPHX1KMT2AHSD11B1TDP1
SCHEMBL14751461 0.82
SCHEMBL787945 0.82 CYP1A2 (0.48) HPGDEPHX1KMT2AEPHX2CYP1A2
SCHEMBL1916162 0.81 LMNA (0.53) HPGDEPHX1KMT2AEPHX2LMNA
SCHEMBL11652994 0.81 HPGD (0.50) HPGDKMT2AHSD11B1CYP1A2NPC1
SCHEMBL909693 0.80 EPHX1 (0.42) HPGDEPHX1KMT2AHSD11B1TDP1

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
WO-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 WO disclosed