SCHEMBL8345769

SCHEMBL8345769

CCCCOC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)OCCCC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.77
TSHR P16473 6/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 4/20 0.49
MAPK1 P28482 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4D Q08499 1/20 0.47
TP53 P04637 1/20 0.46
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL17367633 0.96 ESR1 (0.83) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL523335 0.94 ESR1 (0.86) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL10339657 0.89 ESR1 (0.72) ESR1TSHRLMNAMAPK1ALDH1A1
SCHEMBL31290294 0.89 ESR1 (0.72) ESR1TSHRLMNAMAPK1ALDH1A1
SCHEMBL8990736 0.88 ESR1 (0.61) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL8348591 0.88 ESR1 (0.59) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL11004877 0.85 ESR1 (0.66) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL17410675 0.85 ESR1 (0.71) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL28961265 0.85 ESR1 (0.67) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL522151 0.84 ESR1 (0.71) ESR1TSHRTDP1L3MBTL1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856557-A Process for producing hexafluorobiphenyl -3,3',4,4'-Tetracarboxylic acid precursors UBE INDUSTRIES, LTD. (JP) 1999-01-05 US claimed
US-5856557-A Process for producing hexafluorobiphenyl -3,3',4,4'-Tetracarboxylic acid precursors UBE INDUSTRIES, LTD. (JP) 1999-01-05 US disclosed