SCHEMBL11374469

SCHEMBL11374469

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 5/20 0.44
▸ PTGER2 P43116 5/20 0.44
▸ PTGER3 P43115 3/20 0.44
▸ PTGIR P43119 2/20 0.44
▸ PTGER1 P34995 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ PTGFR P43088 2/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ SLCO2A1 Q92959 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ TRPA1 O75762 2/20 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
SCHEMBL11367013 0.85 TBXA2R (0.43) PTGER4PTGER3PTGER1HPGDPTGFR
SCHEMBL11372858 0.85 TBXA2R (0.43) PTGER4PTGER3PTGER1HPGDPTGFR
SCHEMBL11372629 0.80 PTGER4 (0.51) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11369089 0.80 PTGER4 (0.51) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11369964 0.76 HTT (0.50) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11373350 0.76 PTGER4 (0.42) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL4111899 0.75 PTGER4 (0.57) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL4111896 0.75 PTGER4 (0.57) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11625788 0.75 PTGER2 (0.40) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL13236667 0.75 HTT (0.62) PTGER4PTGER2PTGER3PTGIRPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4163016-A ANTISECRETORY AGENTS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-07-31 — — US claimed
US-4306078-A 16-Substituted prostaglandins HOFFMANN-LA ROCHE INC. (US) 1981-12-15 — — US disclosed
US-4260818-A ANTISECRETORY, ANTIULCER, HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-04-07 — — US disclosed
US-4212993-A 11-ALKYL-13-SATURATED-15-KETO-16-FLUORO, -ALKYL OR -TRIFLUOROMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1980-07-15 — — US disclosed
US-4204074-A ANTISECRETORY, HYPOTENSIVE, ANTIULCER HOFFMANN-LA ROCHE INC. (US) 1980-05-20 — — US disclosed
US-4163016-A ANTISECRETORY AGENTS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-07-31 — — US disclosed
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