SCHEMBL8647646

SCHEMBL8647646

CC(C)(C)OC(=O)Oc1ccc(S(OS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.44
HSD11B1 P28845 2/20 0.35
KDM1A O60341 1/20 0.35
CA2 P00918 1/20 0.35
MMP13 P45452 3/20 0.35
NPY2R P49146 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8649808 0.95 ELANE (0.48) ELANEHSD11B1KDM1ACA2MMP13
SCHEMBL8643879 0.90 ELANE (0.36) ELANEHSD11B1CA2MMP13ABCC9
SCHEMBL8648957 0.86 ELANE (0.38) ELANEHSD11B1KDM1ACA2ABCC9
SCHEMBL8645077 0.83 PSEN1 (0.44) CA2TSHRCYP2C19POLBMAPT
SCHEMBL8083696 0.83 CA1 (0.35) HSD11B1CA2ABCC9ABCC8KCNJ11
SCHEMBL8323469 0.83 ELANE (0.50) ELANEHSD11B1KDM1ACA2MMP13
SCHEMBL2903713 0.83 CA1 (0.35) HSD11B1CA2ABCC9ABCC8KCNJ11
SCHEMBL8643863 0.79 ELANE (0.44) ELANEHSD11B1KDM1ACA2MMP13
SCHEMBL8649154 0.79 ELANE (0.44) ELANEHSD11B1KDM1ACA2MMP13
SCHEMBL8969045 0.79 ELANE (0.51) ELANEHSD11B1KDM1ACA2MMP13

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