SCHEMBL28866610

SCHEMBL28866610

C=CC(OCC1CO1)c1ccccc1.C=CCC(=C)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CASR P41180 1/20 0.33
HTR1A P08908 4/20 0.32
ADRA1D P25100 4/20 0.32
ADRA1A P35348 4/20 0.32
ADRA1B P35368 4/20 0.32
OPRD1 P41143 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL28323523 0.88 ALDH1A1 (0.44) MGLLALDH1A1HTR1AADRA1DADRA1A
SCHEMBL28136768 0.82 MGLL (0.38) MGLLALDH1A1TDP1
SCHEMBL194266 0.81 TDP1 (0.46) MGLLALDH1A1TDP1
SCHEMBL28258813 0.81 ALDH1A1 (0.47) MGLLALDH1A1
SCHEMBL27800498 0.76 HTR1A (0.34) MGLLALDH1A1HTR1AADRA1DADRA1A
SCHEMBL1270207 0.75 TDP1 (0.41) MGLLALDH1A1CASRTDP1
Chlorobenzene SCHEMBL1194559 0.75 TDP1 (0.41) MGLLALDH1A1TDP1SLC6A3
Glycidol SCHEMBL27930614 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL28298590 0.72 ALDH1A1 (0.68) ALDH1A1
Styrene SCHEMBL28052240 0.70 ALDH1A1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109031886-A Photosensitive composition and shading spacer prepared therefrom 罗门哈斯电子材料韩国有限公司 2018-12-18 CN disclosed
CN-109031885-A Photosensitive composition and shading spacer prepared therefrom 罗门哈斯电子材料韩国有限公司 2018-12-18 CN disclosed