SCHEMBL8745506

SCHEMBL8745506

CC(C)(S(=O)(=O)Cc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
FAAH O00519 1/20 0.44
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
PSIP1 O75475 1/20 0.41
MMP1 P03956 3/20 0.40
MMP13 P45452 3/20 0.40
MMP9 P14780 2/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 2/20 0.39
KEAP1 Q14145 1/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL8745503 0.86 CA2 (0.52) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL384939 0.80 HTR6 (0.50) CA1CA2CA5ACA9PSIP1
SCHEMBL8103623 0.78 CA2 (0.52) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL780280 0.75 ALDH1A1 (0.60) CA1CA2CA5ACA9PSIP1
Fluoride SCHEMBL775526 0.73 ALDH1A1 (0.58) CA1CA2CA5ACA9PSIP1
SCHEMBL22895119 0.73 PRSS1 (0.47) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL7296391 0.72 PSIP1 (0.46) CA1CA2CA5ACA9PSIP1
SCHEMBL9412343 0.72 HTR6 (0.42) CA1CA2CA5ACA9PSIP1
SCHEMBL16469554 0.71 HTR6 (0.46) CA1CA2CA5ACA9PSIP1
SCHEMBL28142782 0.71 CA2 (0.54) CA1CA2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654149-B1 POSITIVE-ACTING RADIATION-SENSITIVE MIXTURE AND RECORDING MATERIAL PRODUCED THEREWITH HOECHST AG (DE) 1997-02-05 EP disclosed
EP-0654149-A1 POSITIVE-ACTING RADIATION-SENSITIVE MIXTURE AND RECORDING MATERIAL PRODUCED THEREWITH. HOECHST AG (DE) 1995-05-24 EP disclosed
WO-1994003837-A1 POSITIVE-ACTING RADIATION-SENSITIVE MIXTURE AND RECORDING MATERIAL PRODUCED THEREWITH HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-17 WO disclosed