SCHEMBL8990736

SCHEMBL8990736

CCCCCOC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.61
TSHR P16473 3/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
NAAA Q02083 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 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
SCHEMBL10339657 0.88 ESR1 (0.72) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL31290294 0.88 ESR1 (0.72) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL8345769 0.88 ESR1 (0.77) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL17367633 0.84 ESR1 (0.83) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL25289990 0.82 ALDH1A1 (0.56) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL11153151 0.82 ALDH1A1 (0.56) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL810866 0.82 ALDH1A1 (0.56) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL11499991 0.82 ALDH1A1 (0.56) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL523335 0.82 ESR1 (0.86) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL9618504 0.80 SMN1; SMN2 (0.47) ESR1TP53CYP3A4MAPK1ALDH1A1

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-5523476-A Processes for producing tetrafluorophthalic anhydride and fluorobenzoic acids ASAHI GLASS COMPANY LTD. (JP) 1996-06-04 US claimed