SCHEMBL1996152

SCHEMBL1996152

O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
TSHR P16473 8/20 0.47
TDP1 Q9NUW8 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CYP3A4 P08684 4/20 0.45
MAPK1 P28482 3/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 3/20 0.40
HSD17B10 Q99714 4/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
HIF1A Q16665 1/20 0.38
PDK2 Q15119 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL24065909 0.94 ALDH1A1 (0.48) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL24065908 0.94 ALDH1A1 (0.48) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL24065907 0.94 ALDH1A1 (0.48) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL14064664 0.88 HRH3 (0.46) ALDH1A1TDP1L3MBTL1HPGDKMT2A
SCHEMBL1996495 0.86 TDP1 (0.53) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL1996689 0.86 TDP1 (0.53) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL1996726 0.84 TDP1 (0.54) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL1996059 0.84 ESR1 (0.41) ALDH1A1TSHRTDP1CYP3A4MAPK1
SCHEMBL1999616 0.82 TSHR (0.47) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL14064699 0.82 TDP1 (0.40) ALDH1A1TSHRTDP1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10247655-B2 Microfluidic devices and systems SPHERE FLUIDICS LIMITED (GB) 2019-04-02 US disclosed
US-9513207-B2 Emulsion SPHERE FLUIDICS LIMITED (GB) 2016-12-06 US disclosed
US-9513207-B2 Emulsion SPHERE FLUIDICS LIMITED (GB) 2016-12-06 US disclosed
US-20160252446-A1 MICROFLUIDIC DEVICES AND SYSTEMS SPHERE FLUIDICS LIMITED (GB) 2016-09-01 US disclosed
US-20160252446-A1 MICROFLUIDIC DEVICES AND SYSTEMS SPHERE FLUIDICS LIMITED (GB) 2016-09-01 US disclosed
US-20160169788-A1 EMULSION SPHERE FLUIDICS LIMITED (GB) 2016-06-16 US disclosed
US-20160169788-A1 EMULSION SPHERE FLUIDICS LIMITED (GB) 2016-06-16 US disclosed
EP-2338935-B1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS CO LTD (JP) 2012-12-12 EP disclosed
EP-2338935-A1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2011-06-29 EP disclosed