SCHEMBL7097520

SCHEMBL7097520

CCCC(F)C(=O)C(C)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 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
SCHEMBL7100515 0.89 MAPT (0.43) ALDH1A1HPGDPOLBMAPTTDP1
SCHEMBL7101890 0.87 MAPT (0.36) ALDH1A1MAPTLMNACHRM1AKR1A1
SCHEMBL7102235 0.85 TSHR (0.36) ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL7099340 0.85 CA1 (0.40) ALDH1A1HPGDMAPTCHRM1AKR1A1
SCHEMBL7101044 0.84 ALDH1A1 (0.41) ALDH1A1HPGDMAPTLMNAHSD17B10
SCHEMBL7100406 0.84 ALDH1A1 (0.42) ALDH1A1HPGDMAPTLMNAL3MBTL1
SCHEMBL7096505 0.83 LMNA (0.35) MAPTLMNACHRM1AKR1A1CHRM3
SCHEMBL11531078 0.81 ALDH1A1 (0.42) ALDH1A1POLBMAPTLMNAHSD17B10
SCHEMBL6247104 0.79 ALDH1A1 (0.40) ALDH1A1HPGDMAPTLMNAHSD17B10
SCHEMBL5074743 0.79 ALDH1A1 (0.40) ALDH1A1HPGDMAPTLMNAHSD17B10

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-1038861-B1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2003-09-03 EP disclosed
US-6593488-B1 Reacting 2-fluorocarboxylate with carboxylate UBE INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-1038861-A1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES LIMITED (JP) 2000-09-27 EP disclosed