SCHEMBL6550299

SCHEMBL6550299

O=C(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
ELANE P08246 3/20 0.46
STS P08842 5/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
CXCR2 P25025 2/20 0.40
CXCR1 P25024 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
F11 P03951 1/20 0.38

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
SCHEMBL6551724 0.91 HSD11B1 (0.46) NPC1ELANEMAPTMAPK1HSD11B1
SCHEMBL3480606 0.85 LMNA (0.57) NPC1ELANESTSMAPTMAPK1
SCHEMBL7889107 0.83 STS (0.43) NPC1ELANESTSMAPTMAPK1
SCHEMBL3668194 0.82 STS (0.60) ELANESTSHSD11B1CXCR2CXCR1
SCHEMBL9217908 0.81 STS (0.44) ELANESTSMAPTMAPK1HSD11B1
SCHEMBL974920 0.79 HSD11B1 (0.45) STSMAPTHSD11B1CYP1A2CYP2C19
SCHEMBL8690353 0.78 STS (0.67) ELANESTSALDH1A1
SCHEMBL9472224 0.77 ELANE (0.53) ELANESTSMAPTMAPK1HSD11B1
SCHEMBL903987 0.77 KDM4E (0.45) NPC1MAPTHSD11B1MEN1KMT2A
SCHEMBL24095014 0.76 STS (0.53) NPC1ELANESTSMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789279-B2 Polymer and resist material WAKO PURE CHEM IND LTD (JP) 2004-12-08 EP disclosed
EP-0789279-B1 Polymer and resist material WAKO PURE CHEM IND LTD (JP) 2001-03-21 EP disclosed
US-6033826-A POLYHYDROXYSTYRENE DERIVATIVE CONTAINING AN ACETAL OR KETAL GROUP WHICH CAN EASILY BE ELIMINATED IN THE PRESENCE OF AN ACID IN THE MOLECULE AND HAVING A VERY NARROW MOLECULAR WEIGHT DISTRIBUTION GIVES A RESIST MATERIAL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0789279-A1 Polymer and resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1997-08-13 EP disclosed