SCHEMBL10429972

SCHEMBL10429972

O=C(O)CCCC=CC1C2CCC(C2)C1NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.49
▸ PTGDR Q13258 13/20 0.46
▸ TBXA2R P21731 5/20 0.46
▸ HTT P42858 1/20 0.46
▸ PTGIR P43119 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL9535958 0.91 PTGDR (0.47) CPB1PTGDRTBXA2RALDH1A1GAA
SCHEMBL9535962 0.91 PTGDR (0.47) CPB1PTGDRTBXA2RALDH1A1GAA
SCHEMBL9535952 0.91 PTGDR (0.47) CPB1PTGDRTBXA2RALDH1A1GAA
SCHEMBL9537415 0.82 CPB1 (0.39) CPB1PTGDRALDH1A1GAA
SCHEMBL9537420 0.82 CPB1 (0.39) CPB1PTGDRALDH1A1GAA
SCHEMBL9539102 0.81 ALDH1A1 (0.51) CPB1ALDH1A1GAA
SCHEMBL9792052 0.76 TBXA2R (0.74) PTGDRTBXA2RPTGIR
SCHEMBL9792043 0.76 TBXA2R (0.74) PTGDRTBXA2RPTGIR
SCHEMBL9792037 0.76 TBXA2R (0.74) PTGDRTBXA2RPTGIR
SCHEMBL9792048 0.76 TBXA2R (0.74) PTGDRTBXA2RPTGIR

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
EP-0352083-A2 Alkenyltetrazole derivatives, their preparation and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-01-24 — — EP disclosed
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