SCHEMBL11307756

SCHEMBL11307756

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 8/20 0.51
▸ PTGFR P43088 8/20 0.51
▸ PTGER3 P43115 5/20 0.51
▸ LMNA P02545 4/20 0.51
▸ PTGER1 P34995 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ PTGER4 P35408 2/20 0.51
▸ PTGDR Q13258 1/20 0.51
▸ SLCO2A1 Q92959 1/20 0.51
▸ HPGD P15428 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ABCC4 O15439 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SAE1 Q9UBE0 1/20 0.44
▸ UBA2 Q9UBT2 1/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL11304538 1.00 TBXA2R (0.51) TBXA2RPTGFRPTGER3LMNAPTGER1
SCHEMBL11444957 0.85 TBXA2R (0.53) TBXA2RPTGFRPTGER3LMNAPTGER1
SCHEMBL11299727 0.84 TBXA2R (0.54) TBXA2RPTGFRPTGER3LMNAPTGER1
SCHEMBL11478262 0.84 TBXA2R (0.54) TBXA2RPTGFRPTGER3LMNAPTGER1
SCHEMBL10631786 0.84 ALDH1A1 (0.53) TBXA2RPTGFRPTGER3LMNAPTGER1
SCHEMBL9480759 0.84 ALDH1A1 (0.53) TBXA2RPTGFRPTGER3LMNAPTGER1
SCHEMBL10631782 0.84 ALDH1A1 (0.53) TBXA2RPTGFRPTGER3LMNAPTGER1
SCHEMBL9480769 0.84 ALDH1A1 (0.53) TBXA2RPTGFRPTGER3LMNAPTGER1
SCHEMBL11372858 0.84 TBXA2R (0.43) TBXA2RPTGFRPTGER3LMNAPTGER1
SCHEMBL11367013 0.84 TBXA2R (0.43) TBXA2RPTGFRPTGER3LMNAPTGER1

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-4256911-A TRIFLUOROMETHYL-CARBOXY ESTERS HOFFMANN-LA ROCHE INC. (US) 1981-03-17 — — US disclosed
US-4237276-A CARDIOVASCULAR AGENTS, INDUCTION OF LABOR, TERMINATION OF PREGNANCY HOFFMANN-LA ROCHE INC. (US) 1980-12-02 — — US disclosed
US-4211724-A ENANTIOMORPHS, INTERMEDIATE AMIDES WITH ASSYMETRIC CARBON ATOM HOFFMAN-LA ROCHE INC. (US) 1980-07-08 — — US disclosed
US-4190587-A PROSTAGLANDINS HOFFMANN-LA ROCHE INC. (US) 1980-02-26 — — US disclosed
US-4187381-A CARDIOVASCULAR AGENTS; OXYTOCICS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 — — US disclosed
US-4112225-A 16-CF3 prostaglandins HOFFMAN-LA ROCHE INC. (US) 1978-09-05 — — US disclosed
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