SCHEMBL2008075

SCHEMBL2008075

C=[Ti](F)Oc1cccc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
BACE1 P56817 1/20 0.41
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAOA P21397 1/20 0.38
SOD1 P00441 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
GGPS1 O95749 1/20 0.36
EPHX1 P07099 1/20 0.36
GSTP1 P09211 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
Hydrochloric Acid SCHEMBL721078 0.98 LTA4H (0.41) LTA4HBACE1FFAR1FFAR4HRH3
SCHEMBL27890434 0.76 CYP1A1 (0.42) LTA4HBACE1FFAR1FFAR4MAOA
Hydrochloric Acid SCHEMBL720163 0.75 FFAR1 (0.40) FFAR1FFAR4MAOAHDAC1HDAC2
SCHEMBL2007305 0.75 MRGPRX4 (0.42) FFAR1FFAR4MRGPRX4
SCHEMBL4536542 0.74 LTA4H (0.60) LTA4HFFAR1FFAR4MAOAGSTP1
Hydrochloric Acid SCHEMBL720978 0.74 MRGPRX4 (0.41) FFAR1FFAR4MRGPRX4
SCHEMBL27601568 0.73 FFAR4 (0.58) LTA4HFFAR1FFAR4GSTP1
SCHEMBL10622416 0.73 LTA4H (0.57) LTA4HFFAR1FFAR4GSTP1
SCHEMBL30731588 0.73 LTA4H (0.57) LTA4HFFAR1FFAR4GSTP1
SCHEMBL11817040 0.73 LTA4H (0.57) LTA4HFFAR1FFAR4GSTP1

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
WO-2011074688-A1 PRODUCTION PROCESS OF OLEFIN POLYMERIZATION CATALYST AND OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 WO disclosed
EP-1002808-A1 COPOLYMER, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-24 EP disclosed