SCHEMBL20616615

SCHEMBL20616615

CC(O)COCCCCCCCOCC1CO1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.42
SPHK1 Q9NYA1 2/20 0.41
SPHK2 Q9NRA0 1/20 0.41
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.35
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34

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
SCHEMBL16039188 0.85
SCHEMBL246814 0.85
SCHEMBL16115060 0.85
SCHEMBL2367662 0.83 TSHR (0.45) TSHRALDH1A1TDP1SMN1; SMN2HSD17B10
SCHEMBL8199161 0.83 TSHR (0.42) TSHRALDH1A1TDP1SMN1; SMN2HSD17B10
SCHEMBL6535136 0.82 TSHR (0.61) TSHRALDH1A1TDP1SMN1; SMN2SPHK1
SCHEMBL17383644 0.81 TSHR (0.60) TSHRALDH1A1TDP1SMN1; SMN2SPHK1
SCHEMBL18078673 0.81 ALDH1A1 (0.64) TSHRALDH1A1TDP1SMN1; SMN2SPHK1
SCHEMBL16433698 0.81 TSHR (0.60) TSHRALDH1A1TDP1SMN1; SMN2SPHK1
SCHEMBL23668239 0.81 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014106799-A9 BIS-GLYCIDYL METHACRYLATE MONOMERS FOR COMPOSITE RESIN FORMULATIONS FOR DENTAL USE, METHODS FOR PREPARING SAID MONOMERS, RESIN FORMULATIONS FOR DIRECT DENTAL RESTORATION COMPRISING THE SAME AND USES THEREOF CONSEJO NACIONAL DE INVESTIGACIONES CIENTIFICAS Y TECNICAS (AR) 2019-01-03 WO disclosed