SCHEMBL11128286

SCHEMBL11128286

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ PTGDR2 Q9Y5Y4 3/20 0.47
▸ SLCO2A1 Q92959 1/20 0.47
▸ TBXA2R P21731 3/20 0.43
▸ PDE4D Q08499 4/20 0.39
▸ GALR3 O60755 1/20 0.38
▸ PTGER4 P35408 2/20 0.37
▸ PTGER2 P43116 2/20 0.37
▸ PTGIR P43119 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ PTGFR P43088 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL10865234 0.94 ALDH1A1 (0.55) ALDH1A1PTGDR2SLCO2A1TBXA2RPDE4D
SCHEMBL11119201 0.92 ALDH1A1 (0.46) ALDH1A1PTGDR2SLCO2A1TBXA2RPDE4D
SCHEMBL11117353 0.90 PTGDR2 (0.44) ALDH1A1PTGDR2SLCO2A1TBXA2RPDE4D
SCHEMBL11117356 0.90 PTGDR2 (0.44) ALDH1A1PTGDR2SLCO2A1TBXA2RPDE4D
SCHEMBL10867001 0.89 PTGDR2 (0.43) ALDH1A1PTGDR2SLCO2A1TBXA2RPDE4D
SCHEMBL10866998 0.89 PTGDR2 (0.43) ALDH1A1PTGDR2SLCO2A1TBXA2RPDE4D
SCHEMBL10951862 0.88 PTGDR2 (0.41) ALDH1A1PTGDR2SLCO2A1TBXA2RPDE4D
SCHEMBL11118067 0.88 PTGDR2 (0.41) ALDH1A1PTGDR2SLCO2A1TBXA2RPDE4D
SCHEMBL11208078 0.85 ALDH1A1 (0.49) ALDH1A1PTGDR2SLCO2A1TBXA2RPDE4D
SCHEMBL11208056 0.85 ALDH1A1 (0.49) ALDH1A1PTGDR2SLCO2A1TBXA2RPDE4D

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-0098141-A2 Prostaglandin D analogues, process for their preparation and compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1984-01-11 — — EP disclosed
Send feedback