SCHEMBL1460919

SCHEMBL1460919

CNC(=O)CCC/C=C\CC1=C(C=CC(O)COc2cccc(C(F)(F)F)c2)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 6/20 0.48
PTGER3 P43115 1/20 0.48
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1044517 1.00 PTGFR (0.48) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1044516 1.00 PTGFR (0.48) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1044518 1.00 PTGFR (0.48) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL3053177 0.93 PTGFR (0.47) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1043819 0.93 PTGFR (0.47) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1043817 0.93 PTGFR (0.47) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1043820 0.93 PTGFR (0.47) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1460588 0.93 PTGFR (0.47) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1043901 0.90 PTGFR (0.58) PTGFRPTGER3ABCC4ABCB11THRB
SCHEMBL1043898 0.90 PTGFR (0.58) PTGFRPTGER3ABCC4ABCB11THRB

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-2011032159-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT META COMESTICS, LLC (US) 2011-03-17 WO disclosed