SCHEMBL28114210

SCHEMBL28114210

CC(CO)CO.OCCCCCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 1/20 0.33
TRPA1 O75762 2/20 0.31
MIF P14174 1/20 0.31

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
1,5-Pentanediol SCHEMBL14471864 1.00 TSHR (0.47) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL28120553 1.00 TSHR (0.47) TSHRLMNAALDH1A1HSD17B10MEN1
1,4-Butanediol SCHEMBL730176 0.97 TSHR (0.45) TSHRLMNAALDH1A1HSD17B10MEN1
1,4-Butanediol SCHEMBL28204083 0.90 TSHR (0.48) TSHRLMNAALDH1A1HSD17B10MEN1
1,3-Propanediol SCHEMBL7714427 0.90 TSHR (0.45) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL21410063 0.85 TSHR (0.50) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL7318317 0.85 TSHR (0.50) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL22749286 0.85 TSHR (0.50) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL21410057 0.85 TSHR (0.50) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL542040 0.85 TSHR (0.50) TSHRLMNAALDH1A1HSD17B10MEN1

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
CN-106317368-A Waterborne polyurethane resin dispersion, and coating component and coating agent component having same dispersion 宇部兴产株式会社 2017-01-11 CN disclosed