SCHEMBL11596602

SCHEMBL11596602

CCCCC(C)(C)C(O)/C=C/C1CCC(=O)C1C/C=C\CCCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 5/20 0.59
▸ PTGER1 P34995 3/20 0.59
▸ TBXA2R P21731 2/20 0.59
▸ PTGFR P43088 2/20 0.59
▸ PTGER2 P43116 8/20 0.53
▸ PTGER4 P35408 5/20 0.53
▸ HTT P42858 1/20 0.52
▸ PTGIR P43119 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ TRPA1 O75762 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL11596606 1.00 PTGER3 (0.59) PTGER3PTGER1TBXA2RPTGFRPTGER2
SCHEMBL29424280 1.00 PTGER3 (0.59) PTGER3PTGER1TBXA2RPTGFRPTGER2
SCHEMBL11599710 1.00 PTGER3 (0.59) PTGER3PTGER1TBXA2RPTGFRPTGER2
SCHEMBL11596612 1.00 PTGER3 (0.59) PTGER3PTGER1TBXA2RPTGFRPTGER2
SCHEMBL11599718 1.00 PTGER3 (0.59) PTGER3PTGER1TBXA2RPTGFRPTGER2
SCHEMBL11599713 1.00 PTGER3 (0.59) PTGER3PTGER1TBXA2RPTGFRPTGER2
SCHEMBL11515062 0.87 PTGER3 (0.48) PTGER3PTGER1TBXA2RPTGFRPTGER2
SCHEMBL11515066 0.87 PTGER3 (0.48) PTGER3PTGER1TBXA2RPTGFRPTGER2
SCHEMBL11737423 0.87 PTGER2 (0.48) PTGER3PTGER1TBXA2RPTGFRPTGER2
SCHEMBL11737415 0.87 PTGER2 (0.48) PTGER3PTGER1TBXA2RPTGFRPTGER2

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-3937801-A REDUCING THE INCIDENCE OF GASTROINTESTINAL SIDE EFFECTS DURING THE TREATMENT OF INFLAMMATORY CONDITIONS WITH ANTIINFLAMMATORY DRUGS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 — — US claimed
US-4092427-A ANTICOAGULANTS, OXYTOCICS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-30 — — US disclosed
US-4048329-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 — — US disclosed
US-4048328-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 — — US disclosed
US-4007171-A PROSTAGLANDIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-02-08 — — US disclosed
US-3987081-A ALKYL DERIVATIVES OF PROSTANOIC ACIDS AND PREPARATION THEREOF AMERICAN HOME PRODUCTS CORPORATION (US) 1976-10-19 — — US disclosed
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