SCHEMBL22489230

SCHEMBL22489230

CCCCC[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
▸ TBXA2R P21731 6/20 0.55
▸ PTGER4 P35408 5/20 0.55
▸ PTGER3 P43115 5/20 0.55
▸ PTGER2 P43116 4/20 0.55
▸ PTGER1 P34995 3/20 0.55
▸ PTGFR P43088 3/20 0.55
▸ PTGIR P43119 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ ESR1 P03372 1/20 0.55
▸ PGR P06401 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.44
▸ SLCO2A1 Q92959 2/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ TRPA1 O75762 2/20 0.43

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 0.99 PTGER4 (0.55) TBXA2RPTGER4PTGER3PTGER2PTGER1
SCHEMBL11757808 0.99 PTGER4 (0.55) TBXA2RPTGER4PTGER3PTGER2PTGER1
SCHEMBL24479738 0.92 TBXA2R (0.66) TBXA2RPTGER4PTGER3PTGER2PTGER1
SCHEMBL17421989 0.91 PTGER4 (0.52) TBXA2RPTGER4PTGER3PTGER2PTGER1
SCHEMBL17421986 0.91 PTGER4 (0.52) TBXA2RPTGER4PTGER3PTGER2PTGER1
SCHEMBL11093921 0.90 PTGER4 (0.49) TBXA2RPTGER4PTGER3PTGER2PTGER1
SCHEMBL11093926 0.90 PTGER4 (0.49) TBXA2RPTGER4PTGER3PTGER2PTGER1
SCHEMBL11728187 0.89 TBXA2R (0.55) TBXA2RPTGER4PTGER3PTGER2PTGER1
SCHEMBL11546719 0.89 TBXA2R (0.55) TBXA2RPTGER4PTGER3PTGER2PTGER1
SCHEMBL11450991 0.89 PTGER4 (0.44) TBXA2RPTGER4PTGER3PTGER2PTGER1

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
EP-3950672-A1 METHOD FOR PRODUCING PKROSTAGLANDIN Kyowa Pharma Chemical Co., Ltd. (JP) 2022-02-09 — — EP disclosed
WO-2020195437-A1 METHOD FOR PRODUCING PKROSTAGLANDIN 協和ファーマケミカル株式会社 2020-10-01 — — WO disclosed
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