SCHEMBL20188852

SCHEMBL20188852

COc1cccc2c1C(=O)c1sc(C(=O)OCCc3ccccc3)cc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.47
ALOX5 P09917 4/20 0.42
SLC37A4 O43826 2/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
STAT3 P40763 1/20 0.40
EGFR P00533 1/20 0.40
PIM1 P11309 1/20 0.40
CTH P32929 1/20 0.40
CTSG P08311 1/20 0.40
TTR P02766 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL20187588 0.87 L3MBTL1 (0.47) ELANEALOX5SLC37A4MEN1KMT2A
SCHEMBL20187576 0.82 MEN1 (0.50) ELANESLC37A4FGFR1SRCFGFR2
SCHEMBL20189021 0.78 KCNA3 (0.44) ELANESLC37A4FGFR1SRCFGFR2
SCHEMBL20187694 0.73 MEN1 (0.43) ELANEMEN1KMT2AEGFRPIM1
SCHEMBL20188827 0.72 PSMB11 (0.47) SLC37A4MEN1KMT2AMMP1MMP2
SCHEMBL16672533 0.71 NPC1 (0.63) ALOX5KMT2ATTR
SCHEMBL28200963 0.71 MEN1 (0.62) ALOX5MEN1KMT2ATTRMMP1
SCHEMBL20187629 0.69 MEN1 (0.48) ELANEMEN1KMT2AEGFRPIM1
SCHEMBL612831 0.66 MAPT (0.74) ELANEMEN1KMT2AEGFRPIM1
SCHEMBL8947495 0.66 EGFR (0.73) ELANEMEN1KMT2AEGFRPIM1

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-2018096401-A1 NEW NAPHTHO[2,3-B]FURAN DERIVATIVES BAN HITOSHI (JP) 2018-05-31 WO claimed
WO-2018096401-A1 NEW NAPHTHO[2,3-B]FURAN DERIVATIVES BAN HITOSHI (JP) 2018-05-31 WO disclosed