SCHEMBL7101016

SCHEMBL7101016

CCCCOC(=O)CC(=O)C(F)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR88 Q9GZN0 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
FAAH O00519 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7101663 0.91 LMNA (0.46) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL7100498 0.85 MMP8 (0.49) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL28003749 0.83 TSHR (0.53) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL7099669 0.80 KMT2A (0.47) TSHRL3MBTL1POLBMEN1KMT2A
SCHEMBL7101691 0.79 ALDH1A1 (0.46) RAB9ASMN1; SMN2LMNATSHRKMT2A
SCHEMBL23191566 0.77 TSHR (0.53) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL7101022 0.77 TSHR (0.46) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL27723973 0.77 NPSR1 (0.49) SMN1; SMN2TDP1POLBMEN1KMT2A
SCHEMBL17057059 0.76 FAAH (0.47) SMN1; SMN2TSHRMAPK1ALDH1A1FAAH
SCHEMBL9467365 0.76 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2LMNATSHR

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