SCHEMBL9535962

SCHEMBL9535962

COC(=O)CCCC=C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 4/20 0.47
▸ TBXA2R P21731 2/20 0.47
▸ CPB1 P15086 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ PTGER4 P35408 2/20 0.39
▸ TLR4 O00206 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGER3 P43115 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
SCHEMBL9535958 1.00 PTGDR (0.47) PTGDRTBXA2RCPB1ALDH1A1GAA
SCHEMBL9535952 1.00 PTGDR (0.47) PTGDRTBXA2RCPB1ALDH1A1GAA
SCHEMBL10429972 0.91 CPB1 (0.49) PTGDRTBXA2RCPB1ALDH1A1GAA
SCHEMBL9537415 0.79 CPB1 (0.39) PTGDRCPB1ALDH1A1GAATSHR
SCHEMBL9537420 0.79 CPB1 (0.39) PTGDRCPB1ALDH1A1GAATSHR
SCHEMBL9539102 0.79 ALDH1A1 (0.51) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL9875723 0.77 CPB1 (0.54) CPB1ALDH1A1GAATSHRCA1
SCHEMBL9023789 0.75 ALDH1A1 (0.41) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL9006275 0.75 ALDH1A1 (0.41) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL24226209 0.74 CPB1 (0.52) CPB1ALDH1A1GAATSHR

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-B1 Alkenyltetrazole derivatives, their preparation and use SHIONOGI & CO (JP) 1993-11-24 — — EP disclosed
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