SCHEMBL10951862

SCHEMBL10951862

CCCCC[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 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SLCO2A1 Q92959 1/20 0.41
▸ GALR3 O60755 1/20 0.34
▸ PDE4D Q08499 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ UCHL3 P15374 1/20 0.32
▸ PTGER4 P35408 2/20 0.31
▸ PTGER2 P43116 2/20 0.31
▸ PTGIR P43119 2/20 0.31
▸ TBXA2R P21731 2/20 0.31
▸ PTGFR P43088 2/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PTGER1 P34995 1/20 0.31
▸ OPRK1 P41145 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
SCHEMBL11118067 1.00 PTGDR2 (0.41) PTGDR2ALDH1A1SLCO2A1GALR3PDE4D
SCHEMBL10952197 0.91 PTGDR2 (0.36) PTGDR2ALDH1A1SLCO2A1PTGER4PTGER2
SCHEMBL10865234 0.89 ALDH1A1 (0.55) PTGDR2ALDH1A1SLCO2A1GALR3PDE4D
SCHEMBL11114844 0.88 ALDH1A1 (0.39) PTGDR2ALDH1A1SLCO2A1GALR3PDE4D
SCHEMBL10953111 0.88 ALDH1A1 (0.39) PTGDR2ALDH1A1SLCO2A1GALR3PDE4D
SCHEMBL11128286 0.88 ALDH1A1 (0.47) PTGDR2ALDH1A1SLCO2A1GALR3PDE4D
SCHEMBL11119201 0.86 ALDH1A1 (0.46) PTGDR2ALDH1A1SLCO2A1GALR3PDE4D
SCHEMBL10952666 0.85 ITGB1 (0.31) PTGDR2ALDH1A1SLCO2A1
SCHEMBL10954137 0.84 PDE4D (0.43) ALDH1A1SLCO2A1PDE4DPTGER4TBXA2R
SCHEMBL11117356 0.84 PTGDR2 (0.44) PTGDR2ALDH1A1SLCO2A1GALR3PDE4D

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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