SCHEMBL11548819

SCHEMBL11548819

CC(=O)Oc1ccc(-c2c(C(=O)c3ccc(O)cc3)c3ccccc3[s+]2[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.46
HSD17B10 Q99714 1/20 0.42
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
CYP2C9 P11712 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PREP P48147 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
EYA3 Q99504 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL11549096 0.91 CNR2 (0.46) ELANEHSD17B10NPSR1MAPTRAB9A
SCHEMBL11551463 0.89 CNR2 (0.47) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL11547801 0.89 CNR2 (0.47) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL11547389 0.89 ELANE (0.50) ELANEMEN1KMT2AMAPTLMNA
SCHEMBL11552089 0.89 LMNA (0.47) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL11549453 0.86 ELANE (0.39) ELANEMEN1KMT2AMAPTLMNA
SCHEMBL11552101 0.86 LMNA (0.41) HSD17B10NPSR1KMT2AMAPTLMNA
SCHEMBL11551236 0.86 ELANE (0.39) ELANEMEN1KMT2AMAPTLMNA
SCHEMBL11547983 0.85 SLC22A12 (0.43) ELANEHSD17B10GFERNPSR1MEN1
SCHEMBL11553065 0.85 MEN1 (0.50) MEN1KMT2AMAPTLMNARAB9A

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
US-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed