SCHEMBL9721774

SCHEMBL9721774

CCCCC(C)(C)[C@H](O)C=C[C@@H]1[C@@H](CC=CCCCC(=O)O)[C@H](Br)C[C@H]1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.84
PTGFR P43088 7/20 0.84
PTGER3 P43115 4/20 0.84
PTGER1 P34995 3/20 0.84
LMNA P02545 4/20 0.60
ALDH1A1 P00352 3/20 0.60
PTGER4 P35408 1/20 0.60
PTGDR Q13258 1/20 0.60
SLCO2A1 Q92959 1/20 0.60
HPGD P15428 2/20 0.55
ABCC4 O15439 1/20 0.55
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL11195285 1.00 TBXA2R (0.84) TBXA2RPTGFRPTGER3PTGER1LMNA
SCHEMBL9721770 1.00 TBXA2R (0.84) TBXA2RPTGFRPTGER3PTGER1LMNA
SCHEMBL10882711 1.00 TBXA2R (0.84) TBXA2RPTGFRPTGER3PTGER1LMNA
SCHEMBL10882717 1.00 TBXA2R (0.84) TBXA2RPTGFRPTGER3PTGER1LMNA
SCHEMBL3366405 0.91 PTGFR (1.00) TBXA2RPTGFRPTGER3PTGER1LMNA
SCHEMBL11484121 0.91 PTGFR (1.00) TBXA2RPTGFRPTGER3PTGER1LMNA
SCHEMBL11072257 0.90 PTGFR (0.68) TBXA2RPTGFRPTGER3PTGER1LMNA
SCHEMBL10881927 0.90 PTGFR (0.68) TBXA2RPTGFRPTGER3PTGER1LMNA
SCHEMBL10882314 0.90 PTGFR (0.68) TBXA2RPTGFRPTGER3PTGER1LMNA
SCHEMBL10881923 0.90 PTGFR (0.68) TBXA2RPTGFRPTGER3PTGER1LMNA

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-5095010-A ANTIGESTAGENS, GLUCOCORTICOIDS AND PROSTAGLANDINS FOR INDUCTION OF LABOR OR FOR TERMINATION OF PREGNANCY SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-10 US claimed
US-4626531-A Prostaglandins and antigestagens for induction of labor and for abortion SCHERING AKTIENGESELLSCHAFT (DE) 1986-12-02 US claimed
EP-0081455-B1 9-BROMO-PROSTAGLANDIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1986-04-09 EP claimed
US-5095010-A ANTIGESTAGENS, GLUCOCORTICOIDS AND PROSTAGLANDINS FOR INDUCTION OF LABOR OR FOR TERMINATION OF PREGNANCY SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
US-4626531-A Prostaglandins and antigestagens for induction of labor and for abortion SCHERING AKTIENGESELLSCHAFT (DE) 1986-12-02 US disclosed
US-4487953-A 9-Bromoprostaglandins, their preparation, and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1984-12-11 US disclosed