SCHEMBL862237

SCHEMBL862237

CCCCC(F)(F)C(=O)/C=C/[C@H]1CCC(OC(C)=O)C1CCCCCCC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
PGR P06401 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
PTGER2 P43116 4/20 0.35
PDE4D Q08499 6/20 0.35
EPHX2 P34913 2/20 0.32
NAAA Q02083 2/20 0.31
POLA1 P09884 1/20 0.31

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
SCHEMBL9976701 1.00 POLB (0.37) POLBALDH1A1LMNAPGRMAPT
SCHEMBL862429 1.00 POLB (0.37) POLBALDH1A1LMNAPGRMAPT
SCHEMBL9976695 0.91 ALDH1A1 (0.34) POLBALDH1A1LMNAPGRMAPT
SCHEMBL12087973 0.86 POLB (0.39) POLBALDH1A1LMNAPGRMAPT
SCHEMBL18965531 0.85 POLB (0.38) POLBALDH1A1LMNAPGRMAPT
SCHEMBL11456639 0.80 ALDH1A1 (0.31) POLBALDH1A1LMNAPGRMAPT
SCHEMBL11456636 0.80 ALDH1A1 (0.31) POLBALDH1A1LMNAPGRMAPT
SCHEMBL861932 0.80 PTGER2 (0.36) POLBALDH1A1LMNAPGRMAPT
SCHEMBL9976702 0.80 PTGER2 (0.36) POLBALDH1A1LMNAPGRMAPT
SCHEMBL9980022 0.79 POLB (0.39) POLBALDH1A1LMNAPGRMAPT

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-8143316-B2 Method for treating peripheral vascular diseases SUCAMPO AG (CH) 2012-03-27 US disclosed