SCHEMBL18190877

SCHEMBL18190877

CC(C)(C)OC(=O)N(CC(=O)OCc1ccccc1)C1CN([C]=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
CCR5 P51681 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
CTSL P07711 2/20 0.37
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.36
SYK P43405 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CTSB P07858 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
SCHEMBL18154212 0.88 HSD11B1 (0.46) HSD11B1L3MBTL1ALDH1A1MAPK1CCR5
SCHEMBL19836971 0.87 HSD11B1 (0.47) HSD11B1JAK2JAK1MEN1KMT2A
SCHEMBL6687688 0.84 L3MBTL1 (0.43) HSD11B1L3MBTL1ALDH1A1MAPK1CCR5
SCHEMBL18154101 0.83 KLK7 (0.42) HSD11B1L3MBTL1ALDH1A1MAPK1CCR5
SCHEMBL8893633 0.83 L3MBTL1 (0.45) HSD11B1L3MBTL1ALDH1A1MAPK1CCR5
SCHEMBL18163696 0.83 CCR5 (0.47) HSD11B1L3MBTL1CCR5SIGMAR1
SCHEMBL18154352 0.82 HSD11B1 (0.48) HSD11B1CCR5JAK2JAK1MEN1
SCHEMBL5727402 0.81 CCR5 (0.41) HSD11B1L3MBTL1CCR5CHRM3
SCHEMBL18154489 0.81 L3MBTL1 (0.41) HSD11B1L3MBTL1ALDH1A1MAPK1CCR5
SCHEMBL6681828 0.81 ENPP2 (0.43) HSD11B1L3MBTL1ALDH1A1MAPK1CCR5

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-3265448-A1 RILUZOLE PRODRUGS AND THEIR USE Biohaven Pharmaceutical Holding Company Ltd. (US) 2018-01-10 EP disclosed
WO-2016140879-A9 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-11-03 WO disclosed