SCHEMBL17460647

SCHEMBL17460647

CC[C@H](C)CC(F)(F)C(O)CC[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 19/20 0.50
▸ PTGER2 P43116 2/20 0.50
▸ TBXA2R P21731 2/20 0.50
▸ PTGER1 P34995 12/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ PTGER3 P43115 2/20 0.41
▸ PTGDR Q13258 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
SCHEMBL14462785 0.89 PTGFR (0.39) PTGFRPTGER2TBXA2RPTGER1ALDH1A1
SCHEMBL17460691 0.86 PTGFR (0.47) PTGFRPTGER2TBXA2RPTGER1ALDH1A1
SCHEMBL14462789 0.85 PTGFR (0.57) PTGFRPTGER2TBXA2RPTGER1ALDH1A1
SCHEMBL18022097 0.85 PTGFR (0.57) PTGFRPTGER2TBXA2RPTGER1ALDH1A1
SCHEMBL14462777 0.83 PTGFR (0.42) PTGFRPTGER2TBXA2RPTGER1PTGER3
SCHEMBL14462784 0.82 PTGER2 (0.38) PTGFRPTGER2TBXA2RPTGER3
SCHEMBL14352780 0.81 PTGFR (0.41) PTGFRPTGER2TBXA2RPTGER1ALDH1A1
SCHEMBL14352781 0.81 PTGFR (0.41) PTGFRPTGER2TBXA2RPTGER1ALDH1A1
SCHEMBL17460692 0.77 PTGFR (0.37) PTGFRPTGER2TBXA2RPTGER1ALDH1A1
SCHEMBL18022086 0.73 PTGFR (0.53) PTGFRPTGER2TBXA2RPTGER1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242950-B2 Method for preparing a fatty acid derivative R-TECH UENO, LTD. (JP) 2016-01-26 — — US disclosed
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