SCHEMBL1461633

SCHEMBL1461633

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 8/20 0.60
ABCC4 O15439 1/20 0.60
ABCB11 O95342 1/20 0.60
PTGER3 P43115 1/20 0.47
TBXA2R P21731 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CETP P11597 1/20 0.34

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
SCHEMBL1047180 1.00 PTGFR (0.60) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL1047179 1.00 PTGFR (0.60) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL1047178 1.00 PTGFR (0.60) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL1043898 0.90 PTGFR (0.58) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL1043901 0.90 PTGFR (0.58) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL1043903 0.90 PTGFR (0.58) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL1461634 0.90 PTGFR (0.58) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL1044518 0.88 PTGFR (0.48) PTGFRABCC4ABCB11PTGER3KDM4E
SCHEMBL1460919 0.88 PTGFR (0.48) PTGFRABCC4ABCB11PTGER3KDM4E
SCHEMBL1044517 0.88 PTGFR (0.48) PTGFRABCC4ABCB11PTGER3KDM4E

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