SCHEMBL7123679

SCHEMBL7123679

CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)NC([AsH2])C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.76

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
SCHEMBL6757772 0.91 LTB4R (0.76) LTB4R
SCHEMBL7123686 0.90 LTB4R (0.60) LTB4R
SCHEMBL6757553 0.86 LTB4R (1.00) LTB4R
SCHEMBL6759576 0.86 LTB4R (0.69) LTB4R
SCHEMBL7071095 0.85 LTB4R (0.67) LTB4R
SCHEMBL6757483 0.81 LTB4R (0.64) LTB4R
SCHEMBL6757775 0.80 LTB4R (0.60) LTB4R
SCHEMBL8987047 0.80 LTB4R (1.00) LTB4R
SCHEMBL6757522 0.79 LTB4R (0.68) LTB4R
SCHEMBL6762408 0.79 LTB4R (0.75) LTB4R

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-2003099810-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-12-04 WO disclosed