SCHEMBL8649502

SCHEMBL8649502

CN(C)c1ccc([S+](c2ccc(N(C)C)cc2)c2cccc(OC(=O)OC(C)(C)C)c2)cc1.O=S(=O)([O-])CC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
CA2 P00918 1/20 0.32
ELANE P08246 1/20 0.32
P2RY1 P47900 1/20 0.31
RXRA P19793 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
TGFBR1 P36897 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL8647994 0.91 ELANE (0.37) GRM2CA2ELANEMMP2MMP13
SCHEMBL8645498 0.90 ELANE (0.40) CA2ELANERXRANR1H2NR1H3
SCHEMBL8646162 0.90 CYP3A4 (0.36) GRM2CA2ELANEMMP2MMP13
SCHEMBL8648378 0.90 CYP3A4 (0.36) GRM2CA2ELANEMMP2MMP13
SCHEMBL8321674 0.90 ELANE (0.36) CA2ELANETGFBR1MMP13CYP3A4
SCHEMBL8325529 0.90 ELANE (0.36) CA2ELANETGFBR1MMP13CYP3A4
SCHEMBL8646479 0.87 PSEN1 (0.38) GRM2CA2P2RY1RXRANR1H2
SCHEMBL8322360 0.87 ELANE (0.40) CA2ELANECYP3A4BCHEACHE
SCHEMBL8320026 0.87 ELANE (0.40) CA2ELANECYP3A4BCHEACHE
SCHEMBL8647792 0.86 GRM2 (0.32) GRM2P2RY1

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