SCHEMBL10550211

SCHEMBL10550211

O=C(O)C=CCCCC1COCO1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.36
TBXAS1 P24557 4/20 0.31
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL10474938 0.80 GABRR1 (0.32) TBXA2RTBXAS1GABRR1GABRR2BLM
SCHEMBL4389137 0.80 GABRR1 (0.34) TBXA2RGABRR1GABRR2BLMGABRR3
SCHEMBL1469403 0.77 TSHR (0.38) TBXAS1GABRR1GABRR2BLMGABRR3
Acrylic Acid SCHEMBL10479959 0.73 LMNA (0.31) LMNA
SCHEMBL442394 0.72 ALDH1A1 (0.42)
SCHEMBL9825991 0.71 GABRR1 (0.33) TBXAS1GABRR1GABRR2BLMGABRR3
SCHEMBL12074895 0.71 TSHR (0.43) TBXA2RBLMLMNATSHRAPEX1
SCHEMBL10586703 0.71 TSHR (0.43) TBXA2RBLMLMNATSHRAPEX1
Acetic Acid SCHEMBL10480045 0.70 ALDH1A1 (0.37)
SCHEMBL20598722 0.70 PPARA (0.38) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4824858-A THROMBOXANE A2 ANTAGONIST IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-04-25 US disclosed