SCHEMBL18686238

SCHEMBL18686238

CCC(=O)N[C@H](C(=O)OCCCC(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PLA2G2A P14555 1/20 0.35
PLA2G5 P39877 1/20 0.35
PLA2G10 O15496 2/20 0.35
BIRC2 Q13490 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 3/20 0.34
AKR1B1 P15121 1/20 0.33
CYP2C9 P11712 1/20 0.33
EPHX2 P34913 2/20 0.33
SDCBP O00560 2/20 0.33
SDC2 P34741 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL13078540 0.85 PLA2G10 (0.45) MAPTHSD17B10PLA2G2APLA2G5PLA2G10
SCHEMBL18668921 0.84 PLA2G2C (0.38) MAPTHSD17B10PLA2G2APLA2G5TSHR
SCHEMBL18686282 0.84 PLA2G2C (0.38) MAPTHSD17B10PLA2G2APLA2G5TSHR
SCHEMBL10274720 0.83 MAPT (0.45) MAPTHSD17B10PLA2G2APLA2G5PLA2G10
SCHEMBL18668999 0.83 SMN1; SMN2 (0.37) MAPTHSD17B10PLA2G2APLA2G5TSHR
SCHEMBL10274648 0.83 MAPT (0.45) MAPTHSD17B10PLA2G2APLA2G5PLA2G10
SCHEMBL22206203 0.83 SMN1; SMN2 (0.37) MAPTHSD17B10PLA2G2APLA2G5TSHR
SCHEMBL21074188 0.83 SMN1; SMN2 (0.37) MAPTHSD17B10PLA2G2APLA2G5TSHR
SCHEMBL27030977 0.79 TSHR (0.37) HSD17B10TSHRALDH1A1AKR1B1EPHX2
SCHEMBL19323020 0.78 CYP2C9 (0.41) MAPTHSD17B10BIRC2ALDH1A1CYP2C9

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