SCHEMBL10953111

SCHEMBL10953111

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ SLCO2A1 Q92959 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ PTGER4 P35408 4/20 0.32
▸ PTGER2 P43116 4/20 0.32
▸ PTGER1 P34995 2/20 0.32
▸ PTGER3 P43115 2/20 0.32
▸ GALR3 O60755 1/20 0.32
▸ PTGIR P43119 3/20 0.31
▸ TSHR P16473 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ PTGFR P43088 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL11114844 1.00 ALDH1A1 (0.39) ALDH1A1SLCO2A1PTGDR2PTGER4PTGER2
SCHEMBL11118067 0.88 PTGDR2 (0.41) ALDH1A1SLCO2A1PTGDR2PTGER4PTGER2
SCHEMBL10951862 0.88 PTGDR2 (0.41) ALDH1A1SLCO2A1PTGDR2PTGER4PTGER2
SCHEMBL11120298 0.85 ALDH1A1 (0.34) ALDH1A1SLCO2A1PTGDR2PTGER4PTGER2
SCHEMBL11120300 0.85 ALDH1A1 (0.34) ALDH1A1SLCO2A1PTGDR2PTGER4PTGER2
SCHEMBL10865234 0.85 ALDH1A1 (0.55) ALDH1A1SLCO2A1PTGDR2PTGER4PTGER2
SCHEMBL10949315 0.85 ALDH1A1 (0.42) ALDH1A1SLCO2A1PTGER4PTGER1PTGER3
SCHEMBL11128286 0.84 ALDH1A1 (0.47) ALDH1A1SLCO2A1PTGDR2PTGER4PTGER2
SCHEMBL11119080 0.84 PTGER4 (0.33) ALDH1A1SLCO2A1PTGDR2PTGER4PTGER2
SCHEMBL11119201 0.82 ALDH1A1 (0.46) ALDH1A1SLCO2A1PTGDR2PTGER4PTGER2

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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