SCHEMBL5500332

SCHEMBL5500332

CCCc1cc(S(=O)(=O)c2cc(CCC)c(OCCO)c(CCC)c2)cc(CCC)c1OCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MCHR1 Q99705 1/20 0.32
PTGS2 P35354 2/20 0.31
HTR6 P50406 2/20 0.31
HMGCR P04035 1/20 0.31
CYP2C9 P11712 1/20 0.31
IDO1 P14902 1/20 0.31
METAP2 P50579 1/20 0.31
PIK3CG P48736 1/20 0.30
NR1I2 O75469 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL5500033 0.88 GAA (0.37) GAAKMT2AHSD17B10MCHR1PTGS2
SCHEMBL5500480 0.80 POLB (0.40) GAAKMT2APPARGPPARAPTGS2
SCHEMBL5499344 0.76 HTR1A (0.41) GAAKMT2AHSD17B10HTR6KDM4E
SCHEMBL11655191 0.73 PLAU (0.41) GAAKMT2AHSD17B10MCHR1HTR6
SCHEMBL11022560 0.73 MCHR1 (0.43) KMT2AMCHR1HTR6KDM4E
SCHEMBL483839 0.73 MCHR1 (0.43) KMT2AMCHR1HTR6KDM4E
SCHEMBL5501321 0.72 NR1H2 (0.39) NR1H2NR1H3PPARGPPARAMCHR1
SCHEMBL5501328 0.71 POLB (0.43) GAAKMT2APTGS2IDO1KDM4E
SCHEMBL7907580 0.71 ACHE (0.36) KMT2ANR1H2NR1H3
SCHEMBL8681734 0.71 EPHX2 (0.46) PPARGPPARA

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