Sugi Predict

Sugi Predict / Compounds / SCHEMBL7110359

SCHEMBL7110359

SCHEMBL7110359

CCCc1c(OCCCOc2cc(OCc3ccccc3)c(-c3ccc(F)cc3)cc2CC)ccc2c1OC(C(=O)NC(CC)C(NC(=O)OC(C)(C)C)C(=O)O)CC2

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 20/20 0.57
▸ LTB4R2 Q9NPC1 8/20 0.57

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
SCHEMBL6925319 0.91 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL6762225 0.88 LTB4R (0.56) LTB4RLTB4R2
SCHEMBL6924902 0.87 LTB4R (0.56) LTB4RLTB4R2
SCHEMBL6762231 0.87 LTB4R (0.56) LTB4RLTB4R2
SCHEMBL6762229 0.86 LTB4R (0.56) LTB4RLTB4R2
SCHEMBL7172647 0.84 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL6762233 0.84 LTB4R (0.56) LTB4RLTB4R2
SCHEMBL6755957 0.84 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL7109564 0.82 LTB4R (0.65) LTB4RLTB4R2
SCHEMBL6899506 0.81 LTB4R (0.69) LTB4RLTB4R2

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
EP-1347784-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION Bristol-Myers Squibb Pharma Company (US) 2003-10-01 — — EP disclosed
WO-2002036173-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-10 — — WO disclosed