SCHEMBL5047563

SCHEMBL5047563

c1cc2c3c(c1)ccc1ccc4cccc-2c4c13.c1ccc2c(c1)ccc1ccc3ccccc3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
HSD17B10 Q99714 9/20 0.56
TSHR P16473 7/20 0.56
MAPK1 P28482 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
ATM Q13315 3/20 0.56
HPGD P15428 6/20 0.54
CYP1A2 P05177 5/20 0.54
THRB P10828 1/20 0.54
CASP1 P29466 4/20 0.50
HIF1A Q16665 4/20 0.50
CASP7 P55210 3/20 0.50
CYP2A6 P11509 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.50
HPRT1 P00492 1/20 0.46
CYP3A4 P08684 4/20 0.46
CYP1B1 Q16678 2/20 0.46
CYP1A1 P04798 1/20 0.46
DNMT1 P26358 2/20 0.45

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
SCHEMBL31171149 0.90 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL25412675 0.90 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL2835702 0.88 HSD17B10 (0.67) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL961312 0.84 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL29388002 0.84 HSD17B10 (0.69) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL30632273 0.84 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL535635 0.84 HSD17B10 (0.69) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL30374792 0.84 HSD17B10 (0.69) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL30775152 0.84 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
Fluoranthene SCHEMBL8344415 0.83 ALDH1A1 (0.75) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856299-B1 METHOD OF EXTRACTING SUGAR FROM SUGAR JUICE STICHTING WAGENINGEN RES (NL) 2019-05-22 EP disclosed
US-8551250-B2 Via adsorbent having unsaturated hydrocarbon groups exposed on its (internal) surface; hydrogen bonding NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2013-10-08 US disclosed
US-20080168982-A1 Method of Extracting Sugar from Sugar Juice STICHTING WAGENINGEN RESEARCH (NL) 2008-07-17 US disclosed
EP-1856299-A2 METHOD OF EXTRACTING SUGAR FROM SUGAR JUICE Nederlandse Organisatie voor Toegepast-Natuuurwetenschappelijk Onderzoek TNO (NL) 2007-11-21 EP disclosed
WO-2006088360-A2 METHOD OF EXTRACTING SUGAR FROM SUGAR JUICE NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2006-08-24 WO disclosed