SCHEMBL8647643

SCHEMBL8647643

CC(C)(C)OC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.44
KDM1A O60341 1/20 0.35
CA2 P00918 1/20 0.35
MMP13 P45452 4/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
PRTN3 P24158 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP2 P08253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MMP1 P03956 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL8649803 0.95 ELANE (0.48) ELANEKDM1ACA2MMP13MAPT
SCHEMBL8643877 0.90 ELANE (0.36) ELANECA2MMP13
SCHEMBL8323468 0.89 ELANE (0.51) ELANEKDM1ACA2MMP13MAPT
Trifluoromethanesulfonic Acid SCHEMBL7122594 0.87 ELANE (0.47) ELANEKDM1ACA2MMP13MAPT
SCHEMBL8648952 0.86 ELANE (0.38) ELANEKDM1ACA2
SCHEMBL8322043 0.85 ELANE (0.58) ELANEKDM1ACA2MAPTTDP1
SCHEMBL795385 0.85 ELANE (0.58) ELANEKDM1ACA2MAPTTDP1
SCHEMBL3695509 0.85 ELANE (0.45) ELANEKDM1ACA2MMP13MAPT
SCHEMBL8083692 0.84 CA12 (0.32) CA2CA12CA1CA7
SCHEMBL2903712 0.84 CA12 (0.32) CA2CA12CA1CA7

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