SCHEMBL11300571

SCHEMBL11300571

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 5/20 0.62
▸ PTGER2 P43116 5/20 0.62
▸ PTGER3 P43115 4/20 0.62
▸ PTGIR P43119 2/20 0.62
▸ PTGER1 P34995 2/20 0.62
▸ HPGD P15428 2/20 0.62
▸ PTGFR P43088 2/20 0.62
▸ TBXA2R P21731 2/20 0.62
▸ NR1I2 O75469 1/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ PGR P06401 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ OPRK1 P41145 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ TRPA1 O75762 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL11306606 1.00 PTGER4 (0.62) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11378070 1.00 PTGER4 (0.62) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11546236 0.86 PTGER4 (0.81) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11775424 0.86 PTGER4 (0.81) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11546235 0.86 PTGER4 (0.81) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11776804 0.86 PTGER4 (0.81) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11371904 0.84 PTGER4 (0.55) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11048212 0.84 PTGER4 (0.55) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11367214 0.84 PTGER4 (0.55) PTGER4PTGER2PTGER3PTGIRPTGER1
SCHEMBL11365404 0.82 PTGER4 (0.58) PTGER4PTGER2PTGER3PTGIRPTGER1

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 11 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-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-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-4211724-A ENANTIOMORPHS, INTERMEDIATE AMIDES WITH ASSYMETRIC CARBON ATOM HOFFMAN-LA ROCHE INC. (US) 1980-07-08 — — US disclosed
US-4204074-A ANTISECRETORY, HYPOTENSIVE, ANTIULCER HOFFMANN-LA ROCHE INC. (US) 1980-05-20 — — 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-4163016-A ANTISECRETORY AGENTS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-07-31 — — US disclosed
US-4112225-A 16-CF3 prostaglandins HOFFMAN-LA ROCHE INC. (US) 1978-09-05 — — US disclosed
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