SCHEMBL8973289

SCHEMBL8973289

O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1.c1ccc(C[S+](Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
ELANE P08246 2/20 0.35
FAAH O00519 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRTN3 P24158 1/20 0.35
PRSS3 P35030 1/20 0.35
CALM1 P0DP23 1/20 0.35
EPHX2 P34913 1/20 0.33
AKR1B1 P15121 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
IDO1 P14902 1/20 0.32
TP53 P04637 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
TRPA1 O75762 1/20 0.32
CTSL P07711 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
SCHEMBL9843203 0.88 TP53 (0.37) CES1CES2ELANEFAAHPRSS1
SCHEMBL1323333 0.82 CES2 (0.34) CES1CES2ELANEFAAHPRSS1
SCHEMBL247179 0.81 CALM1 (0.50) CES1CES2CALM1EPHX2TSHR
Iodide SCHEMBL10884305 0.78 CALM1 (0.47) CES1CES2CALM1EPHX2TSHR
Bromide SCHEMBL10885367 0.78 CALM1 (0.47) CES1CES2CALM1EPHX2TSHR
Sulfuric Acid SCHEMBL9457320 0.76 CA2 (0.41) CES1CES2ELANEFAAHPRSS1
SCHEMBL9456777 0.75 CALM1 (0.39) ELANEFAAHPRSS1PRSS2PRTN3
Sulfuric Acid SCHEMBL3297014 0.74 TSHR (0.44) CES1CES2ELANEFAAHPRSS1
SCHEMBL9498864 0.74 CALM1 (0.43) CALM1TSHRALDH1A1IDO1TP53
Trifluoromethanesulfonic Acid SCHEMBL8976229 0.74 GPR3 (0.46) CES1CES2ELANEFAAHPRSS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508952-B1 Epoxy resin blends, especially for the preparation of storable prepregs CIBA GEIGY AG (CH) 1996-04-03 EP disclosed
EP-0508952-A2 Epoxy resin blends, especially for the preparation of storable prepregs CIBA-GEIGY AG (CH) 1992-10-14 EP disclosed
EP-0424314-A2 Heat curable mixtures CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed
EP-0379464-A1 Araliphatic sulfonium salts and their use CIBA-GEIGY AG (CH) 1990-07-25 EP disclosed