SCHEMBL5511531

SCHEMBL5511531

Oc1c(F)cc(NC(F)(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
MEP1B Q16820 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
EPHX2 P34913 1/20 0.31
ERN1 O75460 1/20 0.30
P2RX1 P51575 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL5508450 0.80
SCHEMBL5514335 0.76 GRM4 (0.40) HSD17B1HSD17B2ESR1ESR2EPHX2
SCHEMBL5515696 0.74
SCHEMBL5510296 0.73 CA12 (0.50) HSD17B1HSD17B2
SCHEMBL5522087 0.72 ESR1 (0.51) ESR1ESR2
SCHEMBL5514281 0.71 CA1 (0.30)
SCHEMBL5508935 0.71
SCHEMBL5507483 0.70 ESR1 (0.38) ESR1ESR2
SCHEMBL5517876 0.70 MEP1B (0.37) XDHSLC22A12MEP1BESR1ESR2
SCHEMBL14047935 0.67 CES2 (0.42) HSD17B1HSD17B2ESR1ESR2P2RX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed