SCHEMBL1461634

SCHEMBL1461634

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 17/20 0.58
PTGER3 P43115 4/20 0.58
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
TBXA2R P21731 3/20 0.43
PTGER1 P34995 2/20 0.43
THRB P10828 1/20 0.43
PTGER2 P43116 1/20 0.43

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
SCHEMBL1043901 1.00 PTGFR (0.58) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL1043898 1.00 PTGFR (0.58) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL1043903 1.00 PTGFR (0.58) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL1044517 0.90 PTGFR (0.48) PTGFRPTGER3ABCC4ABCB11THRB
SCHEMBL1044516 0.90 PTGFR (0.48) PTGFRPTGER3ABCC4ABCB11THRB
SCHEMBL1044518 0.90 PTGFR (0.48) PTGFRPTGER3ABCC4ABCB11THRB
SCHEMBL1460919 0.90 PTGFR (0.48) PTGFRPTGER3ABCC4ABCB11THRB
SCHEMBL1047178 0.90 PTGFR (0.60) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL1043819 0.90 PTGFR (0.47) PTGFRPTGER3ABCC4ABCB11
SCHEMBL1460588 0.90 PTGFR (0.47) PTGFRPTGER3ABCC4ABCB11

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