SCHEMBL18669147

SCHEMBL18669147

CCc1ccccc1C(=O)OC(CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
CLCN2 P51788 1/20 0.39
POLB P06746 1/20 0.39
KLK7 P49862 1/20 0.38

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
SCHEMBL10626466 0.90 TSHR (0.50) PPARGPPARATSHRALDH1A1LMNA
SCHEMBL10626470 0.85 ALDH1A1 (0.55) KMT2APPARGPPARATSHRALDH1A1
SCHEMBL18668795 0.84 SMN1; SMN2 (0.46) UTS2RKMT2APPARGPPARATSHR
SCHEMBL18668782 0.83 MAPT (0.48) KMT2AALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL27713909 0.81 UTS2R (0.49) UTS2RKMT2ATSHRALDH1A1LMNA
SCHEMBL18669051 0.81 HPGD (0.50) KMT2APPARGPPARATSHRALDH1A1
SCHEMBL28398051 0.80 PPARG (0.53) UTS2RKMT2APPARGPPARAALDH1A1
SCHEMBL27583153 0.80 UTS2R (0.48) UTS2RKMT2ATSHRALDH1A1LMNA
SCHEMBL28402152 0.80 TSHR (0.58) PPARGPPARATSHRALDH1A1LMNA
Acetic Acid SCHEMBL28490442 0.79 UTS2R (0.45) UTS2RKMT2ATSHRALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353145-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW Laboratories Inc. (KY) 2018-08-01 EP disclosed
WO-2017049470-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (CN) 2017-03-30 WO disclosed
WO-2017050259-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2017-03-30 WO disclosed