SCHEMBL9055429

SCHEMBL9055429

C=CC(=O)OCC(=O)OCCCCCCCCCCCCOC(=O)COC(=O)C=C

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.72
ALDH1A1 P00352 4/20 0.72
CYP3A4 P08684 2/20 0.72
HPGD P15428 1/20 0.53
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
NAAA Q02083 1/20 0.41
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38
HCAR2 Q8TDS4 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL9055413 1.00 TSHR (0.72) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15841057 0.91 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDNAAA
SCHEMBL27647411 0.87 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1656040 0.86 TSHR (0.75) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11511769 0.85 TSHR (0.53) TSHRALDH1A1CYP3A4HPGD
SCHEMBL8493780 0.84 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9101988 0.84 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL322713 0.84 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL33725 0.84 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL482460 0.84 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53

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-0330504-B1 Photosensitive material and image forming method CANON KK (JP) 1996-05-22 EP claimed
EP-0330504-B1 Photosensitive material and image forming method CANON KK (JP) 1996-05-22 EP disclosed
US-5260164-A Silver halide, organic silver salt, cyclic reducing agent, the above compounds adapted to provide imagewise oxidized product of reducing agent upon imagewise exposure and heat development, polymer precursor, photopolymerization initiator CANON KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5064744-A Heat, photopolymerization, silver halide contrast CANON KABUSHIKI KAISHA (JP) 1991-11-12 US disclosed
EP-0330504-A2 Photosensitive material and image forming method CANON KABUSHIKI KAISHA (JP) 1989-08-30 EP disclosed
US-4180673-A USED FOR TRANSFER TAPES IN PRODUCTION OF PRINTED CIRCUITS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-12-25 US disclosed