SCHEMBL4900332

SCHEMBL4900332

O=C(OCCOc1ccccc1)OCCOc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.65
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 1/20 0.62
PKM P14618 2/20 0.62
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
HSD17B10 Q99714 1/20 0.59
PARP10 Q53GL7 1/20 0.58
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
KCNA3 P22001 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL1284142 0.92 THRB (0.61) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9512507 0.91 THRB (0.60) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11801289 0.90 THRB (0.59) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL29427942 0.88 THRB (0.57) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9339118 0.88 MTNR1A (0.54) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7570523 0.88 LTA4H (0.61) THRBRAB9ANPC1TSHRPKM
SCHEMBL288156 0.87 THRB (0.65) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL3763325 0.87 THRB (0.65) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL10712832 0.87 THRB (0.56) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9170139 0.86 THRB (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080097077-A1 Method For Producing Polyoxymethylenes BASF AKTIENGESELLSCHAFT (DE) 2008-04-24 US disclosed
EP-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed
US-4891297-A STORAGE STABILITY, HIGH COLOR DENSITY FUJI PHOTO FILM CO.,LTD. (JP) 1990-01-02 US disclosed
EP-0323887-A2 Heat-sensitive diazo recording materials FUJI PHOTO FILM CO., LTD. (JP) 1989-07-12 EP disclosed