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Sugi Predict / Compounds / SCHEMBL6926544

SCHEMBL6926544

SCHEMBL6926544

CCCc1c(OCCCOc2cc(OCc3ccccc3)c(-c3ccc(F)cc3)cc2CC)ccc2c1OC(N(C=O)CCCOC(=O)C(C)N(C=O)OCc1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 20/20 0.52
▸ LTB4R2 Q9NPC1 15/20 0.52

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
SCHEMBL6921284 0.85 LTB4R (0.50) LTB4RLTB4R2
SCHEMBL6923410 0.83 LTB4R (0.64) LTB4RLTB4R2
SCHEMBL6927667 0.82 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL6899506 0.80 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL6755957 0.80 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL6924896 0.80 LTB4R (0.49) LTB4RLTB4R2
SCHEMBL6923129 0.80 LTB4R (0.66) LTB4RLTB4R2
SCHEMBL6919732 0.78 LTB4R (0.64) LTB4RLTB4R2
SCHEMBL6923477 0.77 LTB4R (0.66) LTB4RLTB4R2
SCHEMBL7922648 0.77 LTB4R (0.72) 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 3 patents. 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
EP-0999856-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION Du Pont Pharmaceuticals Company (US) 2000-05-17 — — EP disclosed
WO-1998015295-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-16 — — WO disclosed