Nocloprost

Nocloprost

SCHEMBL9480879

CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H](Cl)C[C@H]1O.CS(N)(=O)=O

nearest known ligand 0.76

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 6/20 0.76
PTGFR P43088 5/20 0.76
TBXA2R P21731 5/20 0.76
PTGER1 P34995 4/20 0.76
PTGER2 P43116 4/20 0.55
PTGIR P43119 2/20 0.55
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.54
PTGER4 P35408 2/20 0.54
PTGDR Q13258 1/20 0.54
SLCO2A1 Q92959 1/20 0.54
HPGD P15428 2/20 0.53
ABCC4 O15439 1/20 0.53
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SAE1 Q9UBE0 1/20 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
Nocloprost SCHEMBL1554645 0.95 PTGER3 (0.84) PTGER3PTGFRTBXA2RPTGER1PTGER2
Nocloprost SCHEMBL10803435 0.95 PTGER3 (0.84) PTGER3PTGFRTBXA2RPTGER1PTGER2
Nocloprost SCHEMBL9847683 0.95 PTGER3 (0.84) PTGER3PTGFRTBXA2RPTGER1PTGER2
Nocloprost SCHEMBL3873408 0.95 PTGER3 (0.84) PTGER3PTGFRTBXA2RPTGER1PTGER2
Nocloprost SCHEMBL1554648 0.95 PTGER3 (0.84) PTGER3PTGFRTBXA2RPTGER1PTGER2
Nocloprost SCHEMBL436204 0.95 PTGER3 (0.84) PTGER3PTGFRTBXA2RPTGER1PTGER2
SCHEMBL11484121 0.86 PTGFR (1.00) PTGER3PTGFRTBXA2RPTGER1PTGER2
SCHEMBL3366405 0.86 PTGFR (1.00) PTGER3PTGFRTBXA2RPTGER1PTGER2
SCHEMBL10774699 0.86 PTGFR (0.68) PTGER3PTGFRTBXA2RPTGER1PTGER2
SCHEMBL9481875 0.85 PTGFR (0.68) PTGER3PTGFRTBXA2RPTGER1PTGER2

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-4444788-A Pharmaceutically active 9-chloroprostaglandins SCHERING AKTIENGESELLSCHAFT (DE) 1984-04-24 US claimed
EP-0030377-B1 9-CHLORO-PROSTAGLANDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1984-02-22 EP claimed
US-5204371-A Pharmaceutically active 9-chloroprostaglandins SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-20 US disclosed
US-5079259-A PHARMACEUTICALLY ACTIVE 9-CHLOROPROSTAGLANDINS SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
US-4444788-A Pharmaceutically active 9-chloroprostaglandins SCHERING AKTIENGESELLSCHAFT (DE) 1984-04-24 US disclosed