SCHEMBL21781996

SCHEMBL21781996

Cn1c(C(O)CCCCCc2ccccc2)c(C(=O)CCCC(=O)O)c2cc(Cl)ccc21

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 18/20 0.77
▸ TBXAS1 P24557 1/20 0.47

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
SCHEMBL21782028 0.94 OXER1 (0.69) OXER1TBXAS1
SCHEMBL21782153 0.92 OXER1 (0.66) OXER1
SCHEMBL21782203 0.87 OXER1 (0.68) OXER1
SCHEMBL18126621 0.87 OXER1 (1.00) OXER1
SCHEMBL21781998 0.87 OXER1 (0.60) OXER1TBXAS1
SCHEMBL20014090 0.85 OXER1 (0.81) OXER1
SCHEMBL21782177 0.85 OXER1 (0.81) OXER1
SCHEMBL21782002 0.84 OXER1 (0.79) OXER1
SCHEMBL21782022 0.82 OXER1 (0.54) OXER1
SCHEMBL21782024 0.82 OXER1 (0.76) OXER1

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
EP-3277665-B1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2020-03-04 — — EP disclosed
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