SCHEMBL28486287

SCHEMBL28486287

Cc1ccc(SCc2c(C)cccc2/C=C/C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 8/20 0.45
▸ PTGER2 P43116 8/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ PTGDR Q13258 1/20 0.45
▸ PTGER4 P35408 7/20 0.43
▸ PTGER1 P34995 6/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PTGES O14684 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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 0.81 PTGER3 (0.56) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL15609192 0.77 PTGER3 (0.51) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL15609193 0.77 PTGER3 (0.51) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL24435381 0.72 PTGER3 (0.47) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL28492545 0.72 TBXA2R (0.46) PTGER3PTGER2TBXA2RPTGDRHPGD
SCHEMBL6759583 0.71 PTGES (0.61) PTGER3PTGER2TBXA2RPTGDRHPGD
SCHEMBL6759585 0.71 PTGES (0.61) PTGER3PTGER2TBXA2RPTGDRHPGD
SCHEMBL690917 0.70 CA1 (0.53) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL30560916 0.70 CA1 (0.53) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL691503 0.70 CA1 (0.53) 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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