SCHEMBL7101890

SCHEMBL7101890

CCCOC(=O)C(C)C(=O)C(F)CCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CHRM1 P11229 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
ESR1 P03372 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL7100979 0.91 MAPT (0.43) MAPTALDH1A1CHRM1TDP1ESR1
SCHEMBL7100406 0.89 ALDH1A1 (0.42) MAPTALDH1A1TDP1ESR1TSHR
SCHEMBL7097520 0.87 ALDH1A1 (0.36) MAPTALDH1A1CHRM1TDP1HDAC1
SCHEMBL7100499 0.87 ALDH1A1 (0.34) MAPTALDH1A1CHRM1TDP1ESR1
SCHEMBL7099715 0.84 ALDH1A1 (0.44) MAPTALDH1A1TDP1ESR1TSHR
SCHEMBL7102235 0.84 TSHR (0.36) MAPTALDH1A1TSHR
SCHEMBL7099340 0.83 CA1 (0.40) MAPTALDH1A1CHRM1TDP1HDAC1
SCHEMBL7101682 0.82 ALDH1A1 (0.36) MAPTALDH1A1CHRM1TDP1ESR1
SCHEMBL7096505 0.81 LMNA (0.35) MAPTCHRM1TDP1HDAC1HDAC2
SCHEMBL7100515 0.80 MAPT (0.43) MAPTALDH1A1TDP1TSHR

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