SCHEMBL11367013

SCHEMBL11367013

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 9/20 0.43
▸ LMNA P02545 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ PTGFR P43088 3/20 0.43
▸ SLCO2A1 Q92959 3/20 0.43
▸ PTGER1 P34995 2/20 0.43
▸ PTGER3 P43115 2/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ABCC4 O15439 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL11372858 1.00 TBXA2R (0.43) TBXA2RLMNAALDH1A1PTGFRSLCO2A1
SCHEMBL11374469 0.85 PTGER4 (0.44) TBXA2RLMNAALDH1A1PTGFRSLCO2A1
SCHEMBL11366996 0.85 TBXA2R (0.43) TBXA2RLMNAALDH1A1PTGFRSLCO2A1
SCHEMBL11365340 0.84 TBXA2R (0.42) TBXA2RLMNAALDH1A1PTGFRSLCO2A1
SCHEMBL11307756 0.84 TBXA2R (0.51) TBXA2RLMNAALDH1A1PTGFRSLCO2A1
SCHEMBL11304538 0.84 TBXA2R (0.51) TBXA2RLMNAALDH1A1PTGFRSLCO2A1
SCHEMBL11370789 0.80 TBXA2R (0.52) TBXA2RLMNAALDH1A1PTGFRSLCO2A1
SCHEMBL16490649 0.79 SLCO2A1 (0.56) TBXA2RPTGFRSLCO2A1PTGER1PTGER3
SCHEMBL11568205 0.77 PTGFR (0.31) TBXA2RLMNAALDH1A1PTGFRSLCO2A1
SCHEMBL11380062 0.76 MEN1 (0.44) TBXA2RLMNAALDH1A1PTGFRSLCO2A1

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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