Sugi Predict

Sugi Predict / Compounds / SCHEMBL8799809

SCHEMBL8799809

SCHEMBL8799809

COC(=O)CCc1c(CCCCCCOC2CCCCO2)cccc1OCCCC(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 19/20 0.42
▸ LTB4R2 Q9NPC1 11/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP2C9 P11712 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
SCHEMBL9121354 0.92 LTB4R (0.48) LTB4RLTB4R2MEN1KMT2A
SCHEMBL9120017 0.92 LTB4R (0.41) LTB4RLTB4R2MEN1KMT2ACYP2C9
SCHEMBL9120026 0.90 MEN1 (0.45) LTB4RLTB4R2MEN1KMT2A
SCHEMBL9121601 0.87 LTB4R (0.46) LTB4RLTB4R2MEN1KMT2A
SCHEMBL9120015 0.87 LTB4R (0.46) LTB4RLTB4R2MEN1KMT2A
SCHEMBL8463851 0.87 LTB4R (0.44) LTB4RLTB4R2MEN1KMT2A
SCHEMBL8799251 0.87 LTB4R (0.42) LTB4RLTB4R2MEN1KMT2ACYP2C9
SCHEMBL9120964 0.87 LTB4R (0.46) LTB4RLTB4R2MEN1KMT2A
SCHEMBL8799585 0.87 LTB4R (0.43) LTB4RLTB4R2MEN1KMT2A
SCHEMBL9122251 0.86 MEN1 (0.47) LTB4RLTB4R2MEN1KMT2A

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-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 — — EP disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 — — WO disclosed