SCHEMBL9746496

SCHEMBL9746496

C=C(CC(F)F)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 5/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 2/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP1 P29466 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
THRB P10828 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL9546117 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPTNPSR1CYP2C19
SCHEMBL22490384 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPTNPSR1CYP2C19
SCHEMBL9745946 0.81 TSHR (0.49) ALDH1A1TSHRNPSR1CYP2C19CYP2D6
SCHEMBL14046730 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMAPTNPSR1CYP2C19
SCHEMBL179918 0.81 ALDH1A1 (0.45) ALDH1A1TSHRMAPTNPSR1CYP2C19
SCHEMBL9747118 0.79 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1CYP2C19
SCHEMBL10457630 0.79 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1CYP2C19
SCHEMBL9745588 0.79 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1CYP2C19
SCHEMBL7067240 0.79 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1CYP2C19
SCHEMBL9747111 0.78 ALDH1A1 (0.42) ALDH1A1TSHREGLN1

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
US-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed