SCHEMBL9322690

SCHEMBL9322690

C=C(CC)COC(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 4/20 0.48
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 4/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MAPT P10636 1/20 0.31
GLO1 Q04760 1/20 0.30

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
SCHEMBL9704499 0.88 TSHR (0.54) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL27972822 0.82 THRB (0.50) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL1389356 0.82 THRB (0.50) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL9012179 0.81
Propionic Acid SCHEMBL29930795 0.80 THRB (0.48) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL865331 0.79 TSHR (0.50) THRBTSHRALDH1A1TDP1HSD17B10
Butanone SCHEMBL28266670 0.78 THRB (0.47) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL22440408 0.78 THRB (0.57) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL1389549 0.78 TSHR (0.54) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL5098395 0.78 TSHR (0.54) THRBTSHRALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220652-B1 Method for manufacturing phase gratings of a combination pattern-refraction modification type KURARAY CO (JP) 1994-02-02 EP disclosed
US-4777116-A RADIATION OF A MASKED THIN FILM OF A (METH)ACRYLATE POLYMER AND REACTIVE AROMATIC ALDEHYDE AND KETONE KURARAY CO., LTD. (JP) 1988-10-11 US disclosed
EP-0220652-A2 Method for manufacturing phase gratings of a combination pattern-refraction modification type Kuraray Co., Ltd. (JP) 1987-05-06 EP disclosed