SCHEMBL8649808

SCHEMBL8649808

CC(C)(C)OC(=O)Oc1ccc(S(OS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)(c2ccc(OC(=O)OC(C)(C)C)cc2)c2ccc(OC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.48
KDM1A O60341 1/20 0.38
CA2 P00918 9/20 0.37
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
CA1 P00915 8/20 0.33
CA12 O43570 7/20 0.33
CA9 Q16790 7/20 0.33
KMT2A Q03164 2/20 0.32
CA14 Q9ULX7 1/20 0.32
STS P08842 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
HSD11B1 P28845 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL8647646 0.95 ELANE (0.44) ELANEKDM1ACA2MAPTPOLB
SCHEMBL8648957 0.85 ELANE (0.38) ELANEKDM1ACA2PKMSTS
SCHEMBL8643879 0.85 ELANE (0.36) ELANECA2KMT2AALDH1A1HSD11B1
SCHEMBL5406984 0.81 CA1 (0.36) ELANECA2PKMCA1CA12
SCHEMBL8319678 0.81 ELANE (0.55) ELANEKDM1ACA2MAPTPOLB
SCHEMBL8969045 0.80 ELANE (0.51) ELANEKDM1ACA2MAPTPOLB
SCHEMBL8645077 0.78 PSEN1 (0.44) CA2MAPTPOLBPKMCA1
SCHEMBL8649803 0.77 ELANE (0.48) ELANEKDM1ACA2MAPTPOLB
SCHEMBL8643779 0.77 ELANE (0.48) ELANEKDM1ACA2MAPTPOLB
SCHEMBL2903713 0.76 CA1 (0.35) CA2CA1CA12KMT2AMEN1

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-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed