SCHEMBL10952197

SCHEMBL10952197

CCCC[C@H](C)C[C@@H](/C=C/[C@H]1C(=O)C[C@H](OC2CCCCO2)[C@@H]1C/C=C\C/C=C/C(=O)O)OC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SLCO2A1 Q92959 1/20 0.36
▸ PTGER4 P35408 1/20 0.31
▸ PTGER3 P43115 1/20 0.31
▸ PTGER2 P43116 1/20 0.31
▸ PTGIR P43119 1/20 0.30

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
SCHEMBL11118067 0.91 PTGDR2 (0.41) PTGDR2ALDH1A1SLCO2A1PTGER4PTGER3
SCHEMBL10951862 0.91 PTGDR2 (0.41) PTGDR2ALDH1A1SLCO2A1PTGER4PTGER3
SCHEMBL11208056 0.90 ALDH1A1 (0.49) PTGDR2ALDH1A1SLCO2A1PTGER4PTGER3
SCHEMBL11208078 0.90 ALDH1A1 (0.49) PTGDR2ALDH1A1SLCO2A1PTGER4PTGER3
SCHEMBL11112289 0.87 PTGDR2 (0.40) PTGDR2ALDH1A1SLCO2A1PTGER4PTGER3
SCHEMBL11112287 0.87 PTGDR2 (0.40) PTGDR2ALDH1A1SLCO2A1PTGER4PTGER3
SCHEMBL10953515 0.85 PTGFR (0.37) ALDH1A1SLCO2A1PTGER4PTGER3
SCHEMBL10952666 0.82 ITGB1 (0.31) PTGDR2ALDH1A1SLCO2A1
SCHEMBL10865234 0.81 ALDH1A1 (0.55) PTGDR2ALDH1A1SLCO2A1PTGER4PTGER3
SCHEMBL10703299 0.80 PTGIR (0.34) PTGER4PTGER3PTGER2PTGIR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4562204-A ANTITUMOR, ANTILEUKEMIA AGENT ONO PHARMACEUTICAL CO., LTD. (JP) 1985-12-31 — — US disclosed
EP-0099672-A2 Trans-Delta 2-prostaglandin D derivatives, process for their preparation and compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1984-02-01 — — EP disclosed
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