SCHEMBL21781998

SCHEMBL21781998

COc1ccccc1CCCCCC(O)c1c(C(=O)CCCC(=O)O)c2cc(Cl)ccc2n1C

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 17/20 0.60
▸ TBXAS1 P24557 1/20 0.42
▸ ACLY P53396 1/20 0.42

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
SCHEMBL18126623 0.89 OXER1 (0.77) OXER1ACLY
SCHEMBL21782187 0.87 OXER1 (0.71) OXER1
SCHEMBL21781996 0.87 OXER1 (0.77) OXER1TBXAS1
SCHEMBL21782028 0.84 OXER1 (0.69) OXER1TBXAS1
SCHEMBL21782153 0.83 OXER1 (0.66) OXER1
SCHEMBL21782203 0.82 OXER1 (0.68) OXER1
SCHEMBL18126565 0.76 OXER1 (0.76) OXER1
SCHEMBL18126596 0.76 OXER1 (0.76) OXER1
SCHEMBL18126593 0.76 OXER1 (0.76) OXER1
SCHEMBL18112951 0.76 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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