SCHEMBL11757808

SCHEMBL11757808

CCCCCCC[C@@H](/C=C/[C@H]1[C@H](OC2CCCCO2)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)OC1CCCCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 6/20 0.55
▸ PTGER2 P43116 5/20 0.55
▸ PTGER3 P43115 5/20 0.55
▸ TBXA2R P21731 4/20 0.55
▸ PTGIR P43119 3/20 0.55
▸ PTGER1 P34995 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ TSHR P16473 3/20 0.55
▸ PTGFR P43088 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ ESR1 P03372 1/20 0.55
▸ PGR P06401 1/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.43
▸ SLCO2A1 Q92959 2/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ TRPA1 O75762 2/20 0.42

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
SCHEMBL10938627 1.00 PTGER4 (0.55) PTGER4PTGER2PTGER3TBXA2RPTGIR
SCHEMBL22489230 0.99 TBXA2R (0.55) PTGER4PTGER2PTGER3TBXA2RPTGIR
SCHEMBL24479738 0.92 TBXA2R (0.66) PTGER4PTGER2PTGER3TBXA2RPTGIR
SCHEMBL17421986 0.90 PTGER4 (0.52) PTGER4PTGER2PTGER3TBXA2RPTGIR
SCHEMBL17421989 0.90 PTGER4 (0.52) PTGER4PTGER2PTGER3TBXA2RPTGIR
SCHEMBL11093921 0.90 PTGER4 (0.49) PTGER4PTGER2PTGER3TBXA2RPTGIR
SCHEMBL11093926 0.90 PTGER4 (0.49) PTGER4PTGER2PTGER3TBXA2RPTGIR
SCHEMBL11546719 0.89 TBXA2R (0.55) PTGER4PTGER2PTGER3TBXA2RPTGIR
SCHEMBL11728187 0.89 TBXA2R (0.55) PTGER4PTGER2PTGER3TBXA2RPTGIR
SCHEMBL11450991 0.88 PTGER4 (0.44) PTGER4PTGER2PTGER3TBXA2RPTGIR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4017534-A BRONCHODILATION, ANTISECRETORY AMERICAN CYANAMID COMPANY (US) 1977-04-12 — — US disclosed
US-3932463-A BRONCHODILATORS, GASTRIC ACID SECRETION INHIBITORS AMERICAN CYANAMID COMPANY (US) 1976-01-13 — — US disclosed
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