SCHEMBL11366996

SCHEMBL11366996

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 8/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 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 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL11365340 0.92 TBXA2R (0.42) TBXA2RALDH1A1LMNAPTGFRSLCO2A1
SCHEMBL11367013 0.85 TBXA2R (0.43) TBXA2RALDH1A1LMNAPTGFRSLCO2A1
SCHEMBL11372858 0.85 TBXA2R (0.43) TBXA2RALDH1A1LMNAPTGFRSLCO2A1
SCHEMBL11444957 0.78 TBXA2R (0.53) TBXA2RALDH1A1LMNAPTGFRSLCO2A1
SCHEMBL15106326 0.78 MEN1 (0.45) TBXA2RALDH1A1LMNAPTGFRSLCO2A1
SCHEMBL15106483 0.78 MEN1 (0.45) TBXA2RALDH1A1LMNAPTGFRSLCO2A1
SCHEMBL15106324 0.78 MEN1 (0.45) TBXA2RALDH1A1LMNAPTGFRSLCO2A1
SCHEMBL15106482 0.78 MEN1 (0.45) TBXA2RALDH1A1LMNAPTGFRSLCO2A1
SCHEMBL15106327 0.78 MEN1 (0.45) TBXA2RALDH1A1LMNAPTGFRSLCO2A1
SCHEMBL11478262 0.78 TBXA2R (0.54) TBXA2RALDH1A1LMNAPTGFRSLCO2A1

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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