SCHEMBL5510158

SCHEMBL5510158

Oc1cc(F)cc2c(O)c(F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
ERN1 O75460 2/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SNCA P37840 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TRPM4 Q8TD43 1/20 0.31
P2RX1 P51575 2/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL5507627 0.79 PKM (0.37) CA9CA3CA6CA5ACA14
SCHEMBL5513985 0.75 ERN1 (0.42) CA9CA3CA6CA5ACA14
SCHEMBL5518761 0.75 IDO1 (0.35) CA9CA3CA6CA5ACA14
SCHEMBL5517778 0.74 CA9 (0.38) CA9CA3CA6CA5ACA14
SCHEMBL6568133 0.74 CA3 (0.48) CA9CA3CA6CA5ACA14
SCHEMBL6346766 0.72 CA9 (0.55) CA9CA3CA6CA5ACA14
SCHEMBL5513484 0.72 CA3 (0.31) CA9CA3CA6CA5ACA14
SCHEMBL5514314 0.71 CA3 (0.34) CA9CA3CA6CA5ACA14
SCHEMBL5515582 0.71 IDO1 (0.46) CA6ERN1CA1LMNAHTT
SCHEMBL29344211 0.71 CA3 (0.50) CA9CA3CA6CA5ACA14

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