SCHEMBL18686272

SCHEMBL18686272

CC(C)[C@H](NC(=O)OCOC(=O)CCCOC(=O)CNC(=O)OC1CCCCC1)C(=O)OCCCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
EPHX2 P34913 3/20 0.33
NAAA Q02083 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL24938373 0.95 EPHX1 (0.38) EPHX1EPHX2NAAAMEN1KMT2A
SCHEMBL18686103 0.82 EPHX1 (0.49) EPHX1EPHX2NAAAMEN1KMT2A
SCHEMBL21162720 0.72 EPHX1 (0.39) EPHX1
SCHEMBL18686104 0.71 ALDH1A1 (0.50) EPHX1EPHX2MEN1KMT2A
SCHEMBL22206203 0.69 SMN1; SMN2 (0.37) EPHX2TSHR
SCHEMBL21074188 0.69 SMN1; SMN2 (0.37) EPHX2TSHR
SCHEMBL18668999 0.69 SMN1; SMN2 (0.37) EPHX2TSHR
SCHEMBL18686112 0.69 ALDH1A1 (0.35) MEN1KMT2ATSHR
SCHEMBL8682268 0.68 EPHX1 (0.53) EPHX1EPHX2TSHR
SCHEMBL15058144 0.68 EPHX1 (0.53) EPHX1EPHX2TSHR

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-4119539-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2023-01-18 EP disclosed
WO-2017050259-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2017-03-30 WO disclosed