Sugi Predict

Sugi Predict / Compounds / SCHEMBL7069063

SCHEMBL7069063

SCHEMBL7069063

CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)CNC(=O)C(Cc1ccc(O)cc1)N(C=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 16/20 0.56
▸ ADORA1 P30542 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
SCHEMBL6924184 0.92 LTB4R (0.59) LTB4RADORA1
SCHEMBL6755910 0.86 LTB4R (0.62) LTB4RADORA1
SCHEMBL6756027 0.85 LTB4R (0.60) LTB4RADORA1
SCHEMBL8132625 0.81 LTB4R (0.52) LTB4R
SCHEMBL6921291 0.79 LTB4R (0.59) LTB4R
SCHEMBL8143961 0.79 LTB4R (0.57) LTB4R
SCHEMBL6759615 0.79 LTB4R (0.67) LTB4RADORA1
SCHEMBL6759576 0.78 LTB4R (0.69) LTB4R
SCHEMBL6755913 0.77 LTB4R (0.48) LTB4RADORA1
SCHEMBL6756100 0.77 LTB4R (0.64) LTB4RADORA1

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