SCHEMBL4863709

SCHEMBL4863709

C=CC(=O)OCC(C)OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.54
ALDH1A1 P00352 7/20 0.41
TP53 P04637 4/20 0.35
CYP3A4 P08684 3/20 0.35
HPGD P15428 1/20 0.34
HIF1A Q16665 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MGLL Q99685 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16341758 0.86 TSHR (0.46) TSHRALDH1A1TP53CYP3A4HIF1A
SCHEMBL21279992 0.85 TSHR (0.47) TSHRALDH1A1MGLL
SCHEMBL12430365 0.85 TSHR (0.47) TSHRALDH1A1MGLL
Acrylic Acid Methyl Ester SCHEMBL27780922 0.83 ALDH1A1 (0.38) TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL12744515 0.83 TSHR (0.45) TSHRALDH1A1MGLL
SCHEMBL7867278 0.83 TSHR (0.42) TSHRALDH1A1TP53CYP3A4HIF1A
Isobutane SCHEMBL28150322 0.82 ALDH1A1 (0.51) TSHRALDH1A1TP53CYP3A4HPGD
SCHEMBL2463533 0.82 TSHR (0.50) TSHRALDH1A1TP53CYP3A4HPGD
SCHEMBL671633 0.81 TSHR (0.43) TSHRALDH1A1TP53CYP3A4
Acrylic Acid SCHEMBL76363 0.81 ALDH1A1 (0.41) TSHRALDH1A1TP53CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564232-B1 PHOTOSENSITIVE RESIN COMPOSITION AND PROCESS FOR THE FORMATION OF HYDROGEL TOYO GOSEI CO LTD (JP) 2008-08-20 EP disclosed
US-7408002-B2 Photosensitive resin composition and process for the formation of hydrogel TOYO GOSEI CO., LTD (JP) 2008-08-05 US disclosed
US-20060041052-A1 Photosensitive resin compostion and process for the formation of hydrogel TOYO GOSEI CO., LTD (JP) 2006-02-23 US disclosed
EP-1564232-A1 PHOTOSENSITIVE RESIN COMPOSITION AND PROCESS FOR THE FORMATION OF HYDROGEL Toyo Gosei Co., Ltd. (JP) 2005-08-17 EP disclosed