SCHEMBL9537420

SCHEMBL9537420

O=C(N[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C=CCCCc1nnn[nH]1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ EPHX1 P07099 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TLR4 O00206 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSK P43235 1/20 0.33

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
SCHEMBL9537415 1.00 CPB1 (0.39) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL10429971 0.88 PTGDR (0.44) CPB1PTGDR
SCHEMBL9537956 0.88 PTGDR (0.44) CPB1PTGDR
SCHEMBL9537952 0.88 PTGDR (0.44) CPB1PTGDR
SCHEMBL10429972 0.82 CPB1 (0.49) CPB1ALDH1A1GAAPTGDR
SCHEMBL9535962 0.79 PTGDR (0.47) CPB1ALDH1A1GAATSHRPTGDR
SCHEMBL9535958 0.79 PTGDR (0.47) CPB1ALDH1A1GAATSHRPTGDR
SCHEMBL9535952 0.79 PTGDR (0.47) CPB1ALDH1A1GAATSHRPTGDR
SCHEMBL9536070 0.78 TBXA2R (0.47) PTGDR
SCHEMBL9536058 0.78 TBXA2R (0.47) PTGDR

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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