SCHEMBL11367155

SCHEMBL11367155

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 4/20 0.47
▸ PTGER4 P35408 3/20 0.47
▸ PTGER3 P43115 3/20 0.47
▸ PTGIR P43119 2/20 0.47
▸ TBXA2R P21731 2/20 0.47
▸ PTGER1 P34995 2/20 0.47
▸ PTGFR P43088 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ PTGDR2 Q9Y5Y4 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SLCO2A1 Q92959 1/20 0.43
▸ TRPA1 O75762 2/20 0.41

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
SCHEMBL11366948 0.90 PTGER4 (0.48) PTGER2PTGER4PTGER3PTGIRTBXA2R
SCHEMBL8822884 0.83 PTGER2 (0.47) PTGER2PTGER4PTGER3PTGIRTBXA2R
SCHEMBL11369425 0.83 HTT (0.48) PTGER2PTGER4PTGER3PTGIRTBXA2R
SCHEMBL8822883 0.83 PTGER2 (0.47) PTGER2PTGER4PTGER3PTGIRTBXA2R
SCHEMBL11367664 0.83 HTT (0.49) PTGER2PTGER4PTGER3PTGIRTBXA2R
SCHEMBL11372629 0.81 PTGER4 (0.51) PTGER2PTGER4PTGER3PTGIRTBXA2R
SCHEMBL11369089 0.81 PTGER4 (0.51) PTGER2PTGER4PTGER3PTGIRTBXA2R
SCHEMBL13236667 0.81 HTT (0.62) PTGER2PTGER4PTGER3PTGIRTBXA2R
SCHEMBL11369964 0.78 HTT (0.50) PTGER2PTGER4PTGER3PTGIRTBXA2R
SCHEMBL8822913 0.78 HTT (0.48) PTGER2PTGER4PTGER3PTGIRTBXA2R

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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