SCHEMBL9323591

SCHEMBL9323591

C=CC(=O)OCC(=C)CC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 6/20 0.45
TP53 P04637 3/20 0.45
HIF1A Q16665 3/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 1/20 0.45
THRB P10828 4/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SOAT1 P35610 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
ATM Q13315 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
SCHEMBL5457664 0.86 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29220127 0.84 HCAR2 (0.45) TSHRHPGDALDH1A1THRBSMN1; SMN2
SCHEMBL9300284 0.80 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1755541 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27999027 0.78 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1755558 0.77 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL253351 0.77
SCHEMBL10990149 0.77 ALDH1A1 (0.46) TSHRALDH1A1HSD17B10THRBSOAT1
SCHEMBL10385645 0.75 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28001551 0.75 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A

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