SCHEMBL11365404

SCHEMBL11365404

CCCCC(F)(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 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.58
▸ PTGER2 P43116 4/20 0.58
▸ PTGER3 P43115 4/20 0.58
▸ PTGER1 P34995 3/20 0.58
▸ PTGFR P43088 3/20 0.58
▸ TBXA2R P21731 3/20 0.58
▸ PTGIR P43119 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ NR1I2 O75469 1/20 0.58
▸ ESR1 P03372 1/20 0.58
▸ PGR P06401 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ SLCO2A1 Q92959 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ TRPA1 O75762 2/20 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
SCHEMBL11299178 1.00 PTGER4 (0.58) PTGER4PTGER2PTGER3PTGER1PTGFR
SCHEMBL11302949 0.92 PTGER3 (0.58) PTGER4PTGER2PTGER3PTGER1PTGFR
Trimoprostil SCHEMBL564049 0.90 PTGER3 (0.64) PTGER4PTGER2PTGER3PTGER1PTGFR
Trimoprostil SCHEMBL15390002 0.90 PTGER3 (0.64) PTGER4PTGER2PTGER3PTGER1PTGFR
Trimoprostil SCHEMBL1651349 0.90 PTGER3 (0.64) PTGER4PTGER2PTGER3PTGER1PTGFR
Trimoprostil SCHEMBL15390003 0.90 PTGER3 (0.64) PTGER4PTGER2PTGER3PTGER1PTGFR
Trimoprostil SCHEMBL11024670 0.90 PTGER3 (0.64) PTGER4PTGER2PTGER3PTGER1PTGFR
Trimoprostil SCHEMBL11226793 0.90 PTGER3 (0.64) PTGER4PTGER2PTGER3PTGER1PTGFR
Trimoprostil SCHEMBL6375938 0.90 PTGER3 (0.64) PTGER4PTGER2PTGER3PTGER1PTGFR
Trimoprostil SCHEMBL8628176 0.90 PTGER3 (0.64) PTGER4PTGER2PTGER3PTGER1PTGFR

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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