SCHEMBL28492545

SCHEMBL28492545

Cc1ccc(SCc2ccc(Cl)cc2/C=C/C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.46
▸ PTGER3 P43115 2/20 0.46
▸ PTGER2 P43116 2/20 0.46
▸ PTGDR Q13258 2/20 0.46
▸ PTGFR P43088 1/20 0.46
▸ PTGIR P43119 1/20 0.46
▸ PTGES O14684 1/20 0.45
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EGFR P00533 1/20 0.41
▸ ITGB2 P05107 2/20 0.41
▸ ICAM1 P05362 2/20 0.41
▸ ITGAL P20701 2/20 0.41
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 2/20 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
SCHEMBL28904481 0.82 PTGER3 (0.56) TBXA2RPTGER3PTGER2PTGDRPTGFR
SCHEMBL27176782 0.75 EGFR (0.69) TBXA2RPTGER3PTGER2PTGDRPTGFR
SCHEMBL7817709 0.74 PTGER3 (0.56) TBXA2RPTGER3PTGER2PTGDRPTGFR
SCHEMBL7817711 0.74 PTGER3 (0.56) TBXA2RPTGER3PTGER2PTGDRPTGFR
SCHEMBL28486287 0.72 PTGER3 (0.45) TBXA2RPTGER3PTGER2PTGDRPTGES
SCHEMBL7815157 0.72 MAPT (0.49) TBXA2RPTGER3PTGER2PTGDRPTGFR
SCHEMBL7815164 0.72 MAPT (0.49) TBXA2RPTGER3PTGER2PTGDRPTGFR
SCHEMBL7928606 0.72 PTGER3 (0.60) TBXA2RPTGER3PTGER2PTGDRPTGFR
SCHEMBL7928601 0.72 PTGER3 (0.60) TBXA2RPTGER3PTGER2PTGDRPTGFR
SCHEMBL7378640 0.71 PTGER3 (0.55) TBXA2RPTGER3PTGER2PTGDRPTGFR

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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