SCHEMBL28538422

SCHEMBL28538422

C=CCOc1cccc(O)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LIG1 P18858 1/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
JAK2 O60674 1/20 0.42
GAA P10253 1/20 0.42
SLC22A1 O15245 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
1-Hydroxy-2-Allyloxybenzene SCHEMBL1562951 0.82 GAA (0.59) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL8637602 0.81 LIG1 (0.44) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL28547488 0.81 HPGD (0.43) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL978930 0.79 HPGD (0.50) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL1978317 0.78 L3MBTL1 (0.47) HPGDTSHRMAPK1MAPTLMNA
SCHEMBL28161058 0.78 HSD17B10 (0.36) HPGDTSHRMAPK1HSD17B10MAPT
Acrylic Acid SCHEMBL16760991 0.78 L3MBTL1 (0.45) HPGDMAPK1MAPTLMNAGAA
Acrylic Acid SCHEMBL28083216 0.78 L3MBTL1 (0.45) HPGDMAPK1MAPTLMNAGAA
SCHEMBL7072808 0.76 HPGD (0.47) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL27587485 0.75 LMNA (0.47) TSHRMAPTLMNAJAK2GAA

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
CN-112961497-A Environment-friendly thermoplastic plastic composite pipe and preparation method thereof 王磊 2021-06-15 CN claimed
CN-112500703-A Acoustic thin film and preparation method thereof 湖南七纬科技有限公司 2021-03-16 CN claimed
CN-112961497-A Environment-friendly thermoplastic plastic composite pipe and preparation method thereof 王磊 2021-06-15 CN disclosed
CN-112500703-A Acoustic thin film and preparation method thereof 湖南七纬科技有限公司 2021-03-16 CN disclosed