SCHEMBL8649154

SCHEMBL8649154

CC(C)(C)OC(=O)Oc1ccc(S(OS(=O)(=O)CC(F)(F)F)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.44
HSD11B1 P28845 4/20 0.38
MMP13 P45452 6/20 0.37
MMP2 P08253 4/20 0.37
MMP1 P03956 2/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
KDM1A O60341 1/20 0.35
CA2 P00918 1/20 0.35
NPY2R P49146 1/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL8643863 1.00 ELANE (0.44) ELANEHSD11B1MMP13MMP2MMP1
SCHEMBL8643779 0.95 ELANE (0.48) ELANEHSD11B1MMP2ALDH1A1KDM1A
SCHEMBL8648382 0.90 CYP3A4 (0.39) ELANEHSD11B1MMP13MMP2MMP1
SCHEMBL8646164 0.90 CYP3A4 (0.39) ELANEHSD11B1MMP13MMP2MMP1
SCHEMBL8648000 0.86 ELANE (0.38) ELANEHSD11B1CYP3A4CYP2C19ALDH1A1
SCHEMBL8651584 0.84 PSEN1 (0.47) CYP2C19ALDH1A1CYP2C9HPGDCA2
SCHEMBL8651818 0.83 HSD11B1 (0.38) HSD11B1MMP13MMP2MMP1CYP3A4
SCHEMBL8646731 0.83 HSD11B1 (0.38) HSD11B1MMP13MMP2MMP1CYP3A4
SCHEMBL8323469 0.83 ELANE (0.50) ELANEHSD11B1MMP13MMP2MMP1
SCHEMBL8969045 0.81 ELANE (0.51) ELANEHSD11B1MMP13KDM1ACA2

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