SCHEMBL27701466

SCHEMBL27701466

CCCCCOC(=O)CCC(NC(C)=O)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
EPHX2 P34913 4/20 0.43
PPARG P37231 1/20 0.42
RAB9A P51151 1/20 0.41
PLA2G2A P14555 2/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8501932 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDEPHX2
SCHEMBL8504795 0.76 CYSLTR2 (0.53) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL8506161 0.75 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDPLA2G2A
SCHEMBL8502032 0.74 HSD17B3 (0.45) MEN1KMT2AALDH1A1HPGDPLA2G2A
SCHEMBL8504440 0.73 KMT2A (0.50) MEN1KMT2AALDH1A1HPGD
SCHEMBL5502756 0.71 CTSA (0.53)
SCHEMBL468843 0.70 KMT2A (0.51) MEN1KMT2AALDH1A1HPGDPLA2G2A
SCHEMBL468844 0.70 KMT2A (0.51) MEN1KMT2AALDH1A1HPGDPLA2G2A
SCHEMBL468841 0.70 KMT2A (0.51) MEN1KMT2AALDH1A1HPGDPLA2G2A
SCHEMBL468842 0.70 KMT2A (0.51) MEN1KMT2AALDH1A1HPGDPLA2G2A

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
CN-101084216-B Inhibitors for the soluble epoxide hydrolase UNIV CALIFORNIA 2011-09-14 CN disclosed
CN-101084216-A Inhibitors for the soluble epoxide hydrolase UNIV CALIFORNIA (US) 2007-12-05 CN disclosed