SCHEMBL10774699

SCHEMBL10774699

CCCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)C(C)(C)CCCC)[C@H](O)C[C@H]1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 7/20 0.68
PTGER1 P34995 3/20 0.68
PTGER3 P43115 3/20 0.68
TBXA2R P21731 2/20 0.68
PTGER2 P43116 3/20 0.47
PTGIR P43119 2/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
PTGER4 P35408 2/20 0.46
PTGDR Q13258 1/20 0.46
SLCO2A1 Q92959 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
HPGD P15428 2/20 0.43
ABCC4 O15439 1/20 0.43
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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 0.91 PTGER3 (0.84) PTGFRPTGER1PTGER3TBXA2RPTGER2
Nocloprost SCHEMBL9847683 0.91 PTGER3 (0.84) PTGFRPTGER1PTGER3TBXA2RPTGER2
Nocloprost SCHEMBL3873408 0.91 PTGER3 (0.84) PTGFRPTGER1PTGER3TBXA2RPTGER2
Nocloprost SCHEMBL436204 0.91 PTGER3 (0.84) PTGFRPTGER1PTGER3TBXA2RPTGER2
Nocloprost SCHEMBL1554648 0.91 PTGER3 (0.84) PTGFRPTGER1PTGER3TBXA2RPTGER2
Nocloprost SCHEMBL10803435 0.91 PTGER3 (0.84) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL9481879 0.89 PTGFR (0.68) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL9481875 0.89 PTGFR (0.68) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL10580302 0.87 PTGFR (0.57) PTGFRPTGER1PTGER3TBXA2RPTGER2
Nocloprost SCHEMBL9480879 0.86 PTGER3 (0.76) PTGFRPTGER1PTGER3TBXA2RPTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243369-A1 9-HALOGEN PROSTAGLANDINE CLATHRATES AND UTILIZATION THEREOF AS DRUGS. SCHERING AG (DE) 1987-11-04 EP disclosed
EP-0226871-A1 Starting compounds for the preparation of 9-beta-chloroprostaglandins SCHERING AKTIENGESELLSCHAFT (DE) 1987-07-01 EP disclosed
WO-1986004504-A1 9-HALOGEN PROSTAGLANDINE CLATHRATES AND UTILIZATION THEREOF AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1986-08-14 WO disclosed