SCHEMBL18190864

SCHEMBL18190864

CC(C)COC(=O)NC1(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 3/20 0.40
GHSR Q92847 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.33
EPHX2 P34913 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL5674430 0.92 SLC18A2 (0.42) SLC18A2GHSRSMN1; SMN2TSHRALDH1A1
SCHEMBL11197335 0.79 GAA (0.38) SMN1; SMN2ALDH1A1KDM4EMAPTMAPK1
SCHEMBL3094860 0.79 SLC18A2 (0.34) SLC18A2
SCHEMBL4755941 0.79 SLC18A2 (0.35) SLC18A2
SCHEMBL5835274 0.77 GHSR (0.65) GHSRALDH1A1KDM4ELMNA
SCHEMBL7621080 0.76 CXCR5 (0.35) SLC18A2SMN1; SMN2TSHRKDM4ERAB9A
SCHEMBL11602809 0.75 CTSL (0.37) SLC18A2ALDH1A1
SCHEMBL753927 0.74 FFAR3 (0.35) SLC18A2MAPT
SCHEMBL23956970 0.74 TSHR (0.38) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL2722735 0.74 EPHX1 (0.44) ALDH1A1LMNARAB9A

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