SCHEMBL9860992

SCHEMBL9860992

O=C(C=CC(=O)OCCOc1ccccc1)OCCOc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.74
HCAR2 Q8TDS4 2/20 0.59
RAB9A P51151 6/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TSHR P16473 1/20 0.57
PKM P14618 2/20 0.56
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PARP10 Q53GL7 1/20 0.53
AKR1B10 O60218 1/20 0.51
AKR1B1 P15121 1/20 0.51
RECQL P46063 1/20 0.50

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
SCHEMBL9840742 1.00 THRB (0.74) THRBHCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL9860505 1.00 THRB (0.74) THRBHCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL9840737 0.95 HCAR2 (0.68) THRBHCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL9840747 0.95 HCAR2 (0.68) THRBHCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL11722239 0.90 THRB (0.66) THRBHCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL11722220 0.90 THRB (0.66) THRBHCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL14491647 0.85 THRB (0.60) THRBHCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL297662 0.85 THRB (0.60) THRBHCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL34035 0.85 THRB (1.00) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL28230342 0.85 THRB (1.00) 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
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP claimed
US-4855374-A Optical resin from diallyl esters NIPPON OIL AND FATS CO., LTD. (JP) 1989-08-08 US claimed
EP-0233299-A1 Optical resin and process for preparing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-08-26 EP claimed
US-4783552-A Bis(2-methoxyisopropyl) maleate DOW CORNING CORPORATION (US) 1988-11-08 US disclosed
EP-0186439-A2 Heat-curable silicone compositions, use thereof and stabilizer therefor DOW CORNING CORPORATION (US) 1986-07-02 EP disclosed
US-4562096-A Heat-curable silicone compositions, use thereof and stabilizer therefor DOW CORNING CORPORATION (US) 1985-12-31 US disclosed