SCHEMBL5501328

SCHEMBL5501328

CCc1cc(S(=O)(=O)c2ccc(OCCO)c(CC)c2)ccc1OCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TUBB1 Q9H4B7 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.39
S1PR3 Q99500 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
PTGS2 P35354 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SRD5A2 P31213 1/20 0.36

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
SCHEMBL5500480 0.89 POLB (0.40) POLBTSHRMAPK1GAAKMT2A
SCHEMBL5499410 0.82 HTT (0.46) POLBTSHRMAPK1GAAKMT2A
SCHEMBL11325103 0.82 POLB (0.57) POLBMAPK1KMT2AKDM4EPTGDR2
SCHEMBL5499566 0.78 NPSR1 (0.42) POLBTSHRMAPK1GAAKMT2A
SCHEMBL5500033 0.78 GAA (0.37) POLBGAAKMT2ATUBB1PTGDR2
SCHEMBL3993690 0.77 PTGDR2 (0.51) TSHRMAPK1KMT2AKDM4EPTGDR2
SCHEMBL11709568 0.77 GAA (0.49) POLBMAPK1GAAKMT2AKDM4E
SCHEMBL18914636 0.77 LTB4R (0.46) POLBGAAKMT2AKDM4ETUBB1
SCHEMBL8994028 0.76 ALDH1A1 (0.40) POLBMAPK1GAAKMT2AKDM4E
SCHEMBL7912746 0.74 ESR1 (0.53)

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-0894620-B1 NEAR INFRARED RAY ABSORPTION FILM AND MULTI-LAYERED PANEL INCLUDING SAME KANEBO TRINITY HOLDINGS LTD (JP) 2007-06-06 EP disclosed
US-6255031-B1 TO PREVENT THE PENETRATION OF THE RAYS THROUGH THE FILM, THEREBY PREVENTING MALFUNCTION OF REMOTE-CONTROL INFRARED COMMUNICATION PORTS WHICH USE RAYS FALLING WITHIN AN INFRARED RANGE FOR COMMUNICATION KANEBO, LTD. (JP) 2001-07-03 US disclosed
EP-0894620-A1 NEAR INFRARED RAY ABSORPTION FILM AND MULTI-LAYERED PANEL INCLUDING SAME KANEBO LTD. (JP) 1999-02-03 EP disclosed