SCHEMBL19399155

SCHEMBL19399155

C/C=C\C(=O)OCCOCOCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.36
THRB P10828 1/20 0.33
GSTP1 P09211 1/20 0.32
AKR1B10 O60218 1/20 0.31
AKR1B1 P15121 1/20 0.31
PLA2G4B P0C869 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
SCHEMBL969434 0.85 HCAR2 (0.45) HCAR2ALDH1A1TSHRATMGSTP1
SCHEMBL20954080 0.83 HCAR2 (0.44) HCAR2ALDH1A1TSHRATMGSTP1
SCHEMBL30849896 0.81 TSHR (0.54) HCAR2ALDH1A1TP53TSHRHIF1A
SCHEMBL1637673 0.81 TSHR (0.54) HCAR2ALDH1A1TP53TSHRHIF1A
SCHEMBL27872881 0.80 ALDH1A1 (0.41) HCAR2ALDH1A1TP53TSHRHIF1A
SCHEMBL27716011 0.79 ATM (0.52) HCAR2ALDH1A1TP53TSHRHIF1A
SCHEMBL21636771 0.79 ATM (0.52) HCAR2ALDH1A1TP53TSHRHIF1A
SCHEMBL8673805 0.79 ATM (0.52) HCAR2ALDH1A1TP53TSHRHIF1A
SCHEMBL14268198 0.79 TSHR (0.64) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL2065283 0.79 HCAR2 (0.40) HCAR2ALDH1A1ATMGSTP1AKR1B10

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
US-9874829-B2 Dispersant for liquid development, liquid developer, liquid developer cartridge, image forming apparatus, and image forming method FUJI XEROX CO., LTD. (JP) 2018-01-23 US disclosed
US-20170277055-A1 DISPERSANT FOR LIQUID DEVELOPMENT, LIQUID DEVELOPER, LIQUID DEVELOPER CARTRIDGE, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD FUJI XEROX CO., LTD. (JP) 2017-09-28 US disclosed