SCHEMBL11366261

SCHEMBL11366261

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 8/20 0.46
▸ PTGFR P43088 3/20 0.46
▸ PTGER1 P34995 2/20 0.46
▸ PTGER3 P43115 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SLCO2A1 Q92959 2/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABCC4 O15439 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
SCHEMBL11509906 0.83 TBXA2R (0.48) TBXA2RPTGFRPTGER1PTGER3ALDH1A1
SCHEMBL11508944 0.83 TBXA2R (0.47) TBXA2RPTGFRPTGER1PTGER3ALDH1A1
SCHEMBL11508942 0.83 TBXA2R (0.47) TBXA2RPTGFRPTGER1PTGER3ALDH1A1
SCHEMBL11508946 0.83 TBXA2R (0.47) TBXA2RPTGFRPTGER1PTGER3ALDH1A1
SCHEMBL11509904 0.81 TBXA2R (0.47) TBXA2RPTGFRPTGER1PTGER3ALDH1A1
SCHEMBL11510808 0.81 TBXA2R (0.56) TBXA2RPTGFRPTGER1PTGER3ALDH1A1
SCHEMBL11367066 0.81 TBXA2R (0.56) TBXA2RPTGFRPTGER1PTGER3ALDH1A1
SCHEMBL11510807 0.81 TBXA2R (0.56) TBXA2RPTGFRPTGER1PTGER3ALDH1A1
SCHEMBL11510805 0.81 TBXA2R (0.56) TBXA2RPTGFRPTGER1PTGER3ALDH1A1
SCHEMBL11365340 0.79 TBXA2R (0.42) TBXA2RPTGFRPTGER1PTGER3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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