SCHEMBL3342993

SCHEMBL3342993

CC(C)OC(=O)CCC/C=C\CC1C(=O)C=C[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 14/20 0.68
ABCC4 O15439 2/20 0.68
ABCB11 O95342 1/20 0.68
PTGER3 P43115 4/20 0.54
TRPA1 O75762 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
NR4A1 P22736 1/20 0.46
PTPN7 P35236 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
TBXA2R P21731 4/20 0.42
THRB P10828 2/20 0.40
PTGER1 P34995 2/20 0.40
PTGER2 P43116 1/20 0.40

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
SCHEMBL1045455 1.00 PTGFR (0.68) PTGFRABCC4ABCB11PTGER3TRPA1
SCHEMBL1045457 1.00 PTGFR (0.68) PTGFRABCC4ABCB11PTGER3TRPA1
SCHEMBL1045458 1.00 PTGFR (0.68) PTGFRABCC4ABCB11PTGER3TRPA1
SCHEMBL1047070 0.90 PTGFR (0.66) PTGFRABCC4ABCB11PTGER3TRPA1
SCHEMBL1047073 0.90 PTGFR (0.66) PTGFRABCC4ABCB11PTGER3TRPA1
SCHEMBL1047071 0.90 PTGFR (0.66) PTGFRABCC4ABCB11PTGER3TRPA1
SCHEMBL3045453 0.89 PTGFR (0.67) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL3045452 0.89 PTGFR (0.67) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL3045456 0.89 PTGFR (0.67) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL3045460 0.89 PTGFR (0.67) PTGFRABCC4ABCB11PTGER3TBXA2R

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
WO-2010039535-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS META COSMETICS, LLC (US) 2010-04-08 WO claimed