SCHEMBL5500033

SCHEMBL5500033

CCc1cc(S(=O)(=O)c2cc(CC)c(OCCO)c(CC)c2)cc(CC)c1OCCO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MCHR1 Q99705 1/20 0.34
HTR6 P50406 3/20 0.33
NR1I2 O75469 1/20 0.33
TUBB1 Q9H4B7 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.31
S1PR1 P21453 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 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
SCHEMBL5500332 0.88 GAA (0.34) GAAKMT2AHSD17B10MCHR1HTR6
SCHEMBL5499344 0.80 HTR1A (0.41) GAAKMT2AHSD17B10HTR6TUBB1
SCHEMBL5501328 0.78 POLB (0.43) GAAKMT2ATUBB1NPSR1POLB
SCHEMBL11022560 0.76 MCHR1 (0.43) KMT2AMCHR1HTR6THRBALDH1A1
SCHEMBL11655191 0.76 PLAU (0.41) GAAKMT2AHSD17B10MCHR1HTR6
SCHEMBL483839 0.76 MCHR1 (0.43) KMT2AMCHR1HTR6THRBALDH1A1
SCHEMBL28443029 0.76 GAA (0.40) GAAKMT2AHSD17B10MCHR1NR1I2
SCHEMBL7048814 0.75 ALOX15 (0.37) GAAKMT2AHSD17B10MCHR1NR1I2
SCHEMBL7912734 0.74 ESR1 (0.47) GAAKMT2AHSD17B10NR1I2
SCHEMBL5504504 0.71 MCHR1 (0.40) GAAKMT2AHSD17B10MCHR1POLB

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