SCHEMBL2865183

SCHEMBL2865183

O=C(O)c1coc(Oc2cccc(C3CCCC3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MGLL Q99685 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KLKB1 P03952 1/20 0.38
ACMSD Q8TDX5 2/20 0.37
KCNH2 Q12809 1/20 0.36
PKM P14618 1/20 0.35
CETP P11597 1/20 0.35
DHODH Q02127 1/20 0.34
SERPINE1 P05121 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
SCHEMBL2638262 0.98 KMO (0.43) KMOKDM4EGLAHTTKMT2A
SCHEMBL1661148 0.95 MGLL (0.39) KMOMGLLKLKB1KCNH2CETP
SCHEMBL1660045 0.80 HDAC4 (0.36) KMOHDAC4HDAC2HDAC8CETP
SCHEMBL2866332 0.77 MCL1 (0.45) KDM4EKMT2ASMN1; SMN2TDP1KLKB1
SCHEMBL2873881 0.77 P2RX3 (0.42) KMOKLKB1
SCHEMBL2638065 0.77 KLKB1 (0.42) KMOKDM4ETDP1HDAC8KLKB1
SCHEMBL2873902 0.77 HAO1 (0.50) KLKB1
SCHEMBL12563380 0.76 PDE2A (0.42) KLKB1
SCHEMBL2880398 0.75 MCL1 (0.46) KDM4EKMT2ASMN1; SMN2TDP1KLKB1
SCHEMBL12563397 0.74 PDE2A (0.42) KLKB1

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
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed