SCHEMBL6560876

SCHEMBL6560876

CCC(=O)OCCOCCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
PKM P14618 1/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
KMT2A Q03164 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.50
PARP10 Q53GL7 1/20 0.49

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
SCHEMBL868517 0.95 THRB (0.59) THRBHTTRAB9ANPC1SMN1; SMN2
SCHEMBL25282287 0.93 THRB (0.57) THRBHTTRAB9ANPC1SMN1; SMN2
Propionic Acid SCHEMBL17748849 0.91 THRB (0.56) THRBHTTRAB9ANPC1SMN1; SMN2
Ethyl Propionate SCHEMBL1868753 0.90 TDP1 (0.58) THRBHTTRAB9ANPC1SMN1; SMN2
SCHEMBL28497676 0.87 THRB (0.51) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL29257646 0.87 THRB (0.51) THRBHTTRAB9ANPC1SMN1; SMN2
SCHEMBL14517745 0.86 HTT (0.66) THRBHTTRAB9ANPC1SMN1; SMN2
Butyric Acid SCHEMBL538384 0.85 L3MBTL1 (0.53) THRBHTTRAB9ANPC1SMN1; SMN2
SCHEMBL10030185 0.85 HTT (0.64) HTTSMN1; SMN2PKMMEN1KMT2A
SCHEMBL21322109 0.84 THRB (0.56) THRBRAB9ANPC1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed
US-20070137784-A1 Cyanoacrylate composite forming system LOCTITE (R&D) LIMITED 2007-06-21 US disclosed
EP-0735403-B1 Liquid crystal orienting agent JSR CORP (JP) 2004-03-17 EP disclosed
US-5700860-A Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-12-23 US disclosed
EP-0735403-A1 Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-10-02 EP disclosed