SCHEMBL28904481

SCHEMBL28904481

Cc1ccc(SCc2ccccc2/C=C/C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 12/20 0.56
▸ PTGER2 P43116 12/20 0.56
▸ TBXA2R P21731 4/20 0.56
▸ PTGDR Q13258 4/20 0.56
▸ PTGER4 P35408 10/20 0.49
▸ PTGER1 P34995 6/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTGFR P43088 3/20 0.45
▸ PTGIR P43119 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGES O14684 1/20 0.43
▸ TBXAS1 P24557 1/20 0.42

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
SCHEMBL28492545 0.82 TBXA2R (0.46) PTGER3PTGER2TBXA2RPTGDRMEN1
SCHEMBL28486287 0.81 PTGER3 (0.45) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL7934278 0.76 PTGER3 (0.76) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL7934285 0.76 PTGER3 (0.76) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL6759585 0.75 PTGES (0.61) PTGER3PTGER2TBXA2RPTGDRMEN1
SCHEMBL6759583 0.75 PTGES (0.61) PTGER3PTGER2TBXA2RPTGDRMEN1
SCHEMBL3214322 0.75 PTGER3 (0.63) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL309761 0.75 PTGER3 (0.63) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL1150939 0.75 PTGER3 (0.63) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL7929810 0.72 PTGER3 (1.00) PTGER3PTGER2TBXA2RPTGDRPTGER4

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
CN-110183362-B Process for producing aromatic alkenyl compound 五邑大学 2020-12-01 — — CN disclosed
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